1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid

C12H12N2O4S — CID 71564627

IUPAC1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)O)n2)c(C)c1
InChIInChI=1S/C12H12N2O4S/c1-8-3-4-11(9(2)7-8)19(17,18)14-6-5-10(13-14)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyYRYWPSCJDQEVAS-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.44
Rot. Bonds3

About 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid

1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid (PubChem CID 71564627) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid
PubChem CID71564627
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)O)n2)c(C)c1
InChIInChI=1S/C12H12N2O4S/c1-8-3-4-11(9(2)7-8)19(17,18)14-6-5-10(13-14)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyYRYWPSCJDQEVAS-UHFFFAOYSA-N
XLogP1.44
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-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

1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
CID 22771646
1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone
CID 7314411
1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid
CID 25248117
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123877
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 7676494
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
CID 976679
3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole
CID 175460039

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid (CID 71564627) is 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid is Cc1ccc(S(=O)(=O)n2ccc(C(=O)O)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid?
The InChIKey is YRYWPSCJDQEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-8-3-4-11(9(2)7-8)19(17,18)14-6-5-10(13-14)12(15)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid?
1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid is sourced from PubChem (CID 71564627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).