Basic information
- CAS
6909-55-3- Standard SMILES
COC(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1- InChIKey
BZHFCYQAVWSERR-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Names & identifiers
- Preferred name
- Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester
- IUPAC
- methyl 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoate
Names & synonyms
Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester6909-55-31-(4-Methoxycarbonylphenyl)-3-(4-chlorophenyl)-2-pyrazoline2-Pyrazoline, 1-(4-methoxycarbonylphenyl)-3-(4-chlorophenyl)-DTXSID90219129Methyl 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoateBenzoic acid, p-(3-(p-chlorophenyl)-2-pyrazolin-1-yl)-, methyl estermethyl 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoateRefChem:327426DTXCID60141620BZHFCYQAVWSERR-UHFFFAOYSA-N
Database identifiers
- CAS
6909-55-3- PubChem CID
- 197859
- DTXSID
DTXSID90219129- Nikkaji
- J265.808I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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