Basic information
- CAS
595610-41-6- Standard SMILES
CCOC(=O)c1cc(-c2ccc(C)cc2)n[nH]1- InChIKey
VGQLKLIHKUWTGS-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- Ethyl 5-(4-methylphenyl)-2H-pyrazole-3-carboxylate
- IUPAC
- ethyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
- English name
- 3-(4-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
595610-41-6Ethyl 5-(4-methylphenyl)-2H-pyrazole-3-carboxylateEthyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylateethyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylateMFCD073643753-(4-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTERethyl 5-(p-tolyl)-1H-pyrazole-3-carboxylateSBB041038Ethyl 3-(p-tolyl)-1H-pyrazole-5-carboxylateEthyl 5-(p-tolyl)pyrazole-3-carboxylateSCHEMBL11887698DTXSID10346825
Show more names
1H-Pyrazole-3-carboxylic acid, 5-(4-methylphenyl)-, ethyl ester
VGQLKLIHKUWTGS-UHFFFAOYSA-NMFCD05742190AKOS000269725BS-29033SY123610DB-314550EN300-110880ethyl 3-(4-methylphenyl)pyrazole-5-carboxylate
Database identifiers
- CAS
595610-41-6- PubChem CID
- 615420
- DTXSID
DTXSID10346825- Nikkaji
- J2.453.192I、J2.708.835J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 145 · 145-147 °C
- Boiling point
- 433.7 · 433.7±33.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 10.56 · 10.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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