HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Ethyl 1-methyl-5-phenyl-1H-pyrazole-3-carboxylate

HCID 7537623
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
10199-51-6
Standard SMILES
CCOC(=O)c1cc(-c2ccccc2)n(C)n1
InChIKey
KQECZAANWUVBES-UHFFFAOYSA-N
Molecular formula
C13H14N2O2
Average molar mass
230.26 g/mol
Monoisotopic mass
230.10552769

Names & identifiers

Preferred name
Ethyl 1-methyl-5-phenyl-1H-pyrazole-3-carboxylate
IUPAC
ethyl 1-methyl-5-phenylpyrazole-3-carboxylate
English name
ETHYL 1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBOXYLATE
Molecular formula
C13H14N2O2
Molecular weight
230.26

Names & synonyms

10199-51-6ethyl 1-methyl-5-phenylpyrazole-3-carboxylateEthyl 1-methyl-5-phenyl-1H-pyrazole-3-carboxylateMFCD080605331H-Pyrazole-3-carboxylic acid, 1-methyl-5-phenyl-, ethyl ester1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid ethyl esterSCHEMBL1779589DTXSID80428768KQECZAANWUVBES-UHFFFAOYSA-N1H-Pyrazole-3-carboxylicacid, 1-methyl-5-phenyl-, ethyl esterSBB097603AKOS015908700
Show more names
Ethyl 1-methyl-5-phenyl-1H-pyrazole-3-carboxylate 97%1-methyl-5-phenyl-1H-prazole-3-carboxylic acid ethyl ester
CS-W0004183-ethoxycarbonyl-1-methyl5-phenylpyrazoleBS-19146SY128859DB-058744ethyl1-methyl-5-phenylpyrazole-3-carboxylateC14005ethyl 1-methyl-5-phenyl-pyrazole-3-carboxylate

Database identifiers

CAS
10199-51-6
PubChem CID
7537623
DTXSID
DTXSID80428768
EC Number

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
264

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers19 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
嘉兴诺华化工有限公司18957373295
上海缘启生物科技有限公司+86-2332782371 +86-18120098618 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]

Related reactions

9 records
New reaction record
HRID 198207 reaction equation
HRID 198207As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 549075 reaction equation
HRID 549075As reactantuspto-grants-2011_05
HRID 1031332 reaction equation
HRID 1031332As reactantuspto-grants-1990_09
HRID 1765619 reaction equation
HRID 1765619As reactantuspto-grants-2007_06
HRID 1816614 reaction equation
HRID 1816614As reactantuspto-grants-2005_04
HRID 1835239 reaction equation
HRID 1835239As reactantuspto-grants-2004_08
HRID 2143569 reaction equation
HRID 2143569As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2160003 reaction equation
HRID 2160003As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
189-136-0
Nikkaji
J1.087.530G
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]