1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid

C16H11ClN2O2 — CID 43217704

IUPAC1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-8-13(9-7-12)19-10-14(16(20)21)15(18-19)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyNUPFKWMHYSFIPW-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid

1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid (PubChem CID 43217704) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid
PubChem CID43217704
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-8-13(9-7-12)19-10-14(16(20)21)15(18-19)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyNUPFKWMHYSFIPW-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

Lonazolac
CID 68706
1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid
CID 2777583
2-Pyrazolylbenzoic acid
CID 4738383
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carboxaldehyde
CID 3775241
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2566102
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 673680
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 703492
ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 753856
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
1-(4-methylphenyl)-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2513400

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid (CID 43217704) is 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid?
The InChIKey is NUPFKWMHYSFIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-6-8-13(9-7-12)19-10-14(16(20)21)15(18-19)11-4-2-1-3-5-11/h1-10H,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid?
1-(4-chlorophenyl)-3-phenylpyrazole-4-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-(4-chlorophenyl)-3-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43217704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).