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

HCID 22145397
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Basic information

CAS
165744-14-9
Standard SMILES
CCOC(=O)c1cc(CC)n(C)n1
InChIKey
KSERUIWILZNIDW-UHFFFAOYSA-N
Molecular formula
C9H14N2O2
Average molar mass
182.22 g/mol
Monoisotopic mass
182.10552769

Names & identifiers

Preferred name
Ethyl 5-ethyl-1-methyl-1H-pyrazole-3-carboxylate
IUPAC
ethyl 5-ethyl-1-methylpyrazole-3-carboxylate
English name
1H-Pyrazole-3-carboxylicacid,5-ethyl-1-methyl-,ethylester(9CI)
Molecular formula
C9H14N2O2
Molecular weight
182.22

Names & synonyms

ETHYL 5-ETHYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE165744-14-9Ethyl 5-Ethyl-1-methylpyrazole-3-carboxylateMFCD041150911H-PYRAZOLE-3-CARBOXYLIC ACID, 5-ETHYL-1-METHYL-, ETHYL ESTERSCHEMBL1233249DTXSID70622899KSERUIWILZNIDW-UHFFFAOYSA-NALBB-022481AKOS003673549AB19591AS-71186
Show more names
DB-064588CS-0129546ethyl 5-ethyl-1-methyl-pyrazole-3-carboxylateW18895F372991ETHYL5-ETHYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE1H-Pyrazole-3-carboxylicacid,5-ethyl-1-methyl-,ethylester(9CI)

Database identifiers

CAS
165744-14-9
PubChem CID
22145397
DTXSID
DTXSID70622899

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Boiling point
286.3 · 286.3±28.0 °C(Predicted)
Density
1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
0.47 · 0.47±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers15 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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