5-(4-Chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1H-pyrazole-3-carboxylic acid methyl ester
Basic information
- CAS
192702-06-0- Standard SMILES
COC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)n1- InChIKey
OQWXYOMLSDASLR-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O2
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 354.1135055
Names & identifiers
- Preferred name
- 5-(4-Chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1H-pyrazole-3-carboxylic acid methyl ester
- IUPAC
- methyl 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
Names & synonyms
192702-06-0SCHEMBL5902441OQWXYOMLSDASLR-UHFFFAOYSA-NDTXSID9011254505-(4-Chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1H-pyrazole-3-carboxylic acid methyl esterMethyl 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
192702-06-0- PubChem CID
- 10247587
- DTXSID
DTXSID901125450
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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