1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester
Basic information
- CAS
123362-39-0- Standard SMILES
COC(=O)c1cn(-c2ccccc2)nc1C(=O)c1ccccc1- InChIKey
XACHCEJJKHFJJL-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl ester
- IUPAC
- methyl 3-benzoyl-1-phenylpyrazole-4-carboxylate
Names & synonyms
123362-39-01H-Pyrazole-4-carboxylic acid, 3-benzoyl-1-phenyl-, methyl esterEnamine_005312DTXSID30368443HMS1409B10AKOS034465686NCGC01448308-01methyl 3-benzoyl-1-phenyl-1H-pyrazole-4-carboxylateZ56919215
Database identifiers
- CAS
123362-39-0- PubChem CID
- 2393225
- DTXSID
DTXSID30368443
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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