1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid

C17H14N2O4S — CID 91871448

IUPAC1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C17H14N2O4S/c1-24(22,23)14-9-7-13(8-10-14)19-16(17(20)21)11-15(18-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyCXLKBMMKLLGMCB-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid

1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid (PubChem CID 91871448) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid
PubChem CID91871448
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C17H14N2O4S/c1-24(22,23)14-9-7-13(8-10-14)19-16(17(20)21)11-15(18-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyCXLKBMMKLLGMCB-UHFFFAOYSA-N
XLogP2.64
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonylphenyl)pyrazole-5-carboxylic acid
CID 91871967
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 142753795
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
CID 52951388
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
1-(1,3-diphenylpyrazol-5-yl)ethenamine
CID 170234692
1-(4-methylsulfonylphenyl)-6-oxopyridazine-3-carboxylate
CID 86658658
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid (CID 91871448) is 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid is CS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2C(=O)O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid?
The InChIKey is CXLKBMMKLLGMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-24(22,23)14-9-7-13(8-10-14)19-16(17(20)21)11-15(18-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21).
What are the key properties of 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid?
1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid has a molecular weight of 342.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid is sourced from PubChem (CID 91871448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).