Basic information
- CAS
7189-04-0- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C- InChIKey
VCPCQJHHHVITQW-UHFFFAOYSA-N- Molecular formula
- C19H18N2O2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.13682782
Names & identifiers
- Preferred name
- Ethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate
- English name
- 1H-Pyrazole-4-carboxylic acid, 5-methyl-1,3-diphenyl-, ethyl ester
- Molecular formula
- C19H18N2O2
- Molecular weight
- 306.36
Names & synonyms
7189-04-0ethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylateDTXSID40353547RefChem:344392DTXCID403046105-METHYL-1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTERethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 5-methyl-1,3-diphenyl-, ethyl esterCBMicro_005008SCHEMBL6264973(E)-2-Cyano-N-(4-ethylphenyl)-3-(3-methoxyphenyl)acrylamideSMSF0003355
Show more names
1H-Pyrazole-4-carboxylic acid, 5-methyl-1,3-diphenyl-,ethyl esterSTL406204AKOS025251161CB07035BIM-0004895.P001DB-074492AE-842/31986027
Database identifiers
- CAS
7189-04-0- PubChem CID
- 744754
- DTXSID
DTXSID40353547- Nikkaji
- J2.672.067B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Melting point
- 105 · 105-106℃
- Boiling point
- 457.9 · 457.9±33.0 °C(Predicted)
- Density
- 1.13 · 1.13
- pka
- -2 · -2.00±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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