1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid

C16H11ClN2O2 — CID 3269953

IUPAC1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-4-5-9-14(12)19-15(10-13(18-19)16(20)21)11-6-2-1-3-7-11/h1-10H,(H,20,21)
InChIKeyOJMROTIHMXNNBF-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.89
Rot. Bonds3

About 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid

1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid (PubChem CID 3269953) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid
PubChem CID3269953
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-4-5-9-14(12)19-15(10-13(18-19)16(20)21)11-6-2-1-3-7-11/h1-10H,(H,20,21)
InChIKeyOJMROTIHMXNNBF-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 807356
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
1-((4-Chlorophenyl)methyl)-1H-indazole-3-carboxylic acid
CID 100493
5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477243
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
1,5-bis(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477238
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477240
1-(2,4-dichlorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477270
1-(4-chlorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 3269951
5-(2-Chlorophenyl)-1-(3-chlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477249
5-(2-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477254

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid (CID 3269953) is 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid?
The InChIKey is OJMROTIHMXNNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-8-4-5-9-14(12)19-15(10-13(18-19)16(20)21)11-6-2-1-3-7-11/h1-10H,(H,20,21).
What are the key properties of 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid?
1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 3269953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).