3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid

C15H15N3O5S — CID 119257780

IUPAC3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid
SMILESCS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)[nH]n2)cc(C(=O)O)c1
InChIInChI=1S/C15H15N3O5S/c1-24(22,23)11-5-9(15(20)21)4-10(6-11)16-14(19)13-7-12(17-18-13)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyZWIZPTZYDKNVSP-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.64
Rot. Bonds5

About 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid

3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid (PubChem CID 119257780) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid
PubChem CID119257780
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid
SMILESCS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)[nH]n2)cc(C(=O)O)c1
InChIInChI=1S/C15H15N3O5S/c1-24(22,23)11-5-9(15(20)21)4-10(6-11)16-14(19)13-7-12(17-18-13)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyZWIZPTZYDKNVSP-UHFFFAOYSA-N
XLogP1.64
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic 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-methylsulfonyl-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]benzoic acid
CID 119257679
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154893001
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
3-[(2-cyclopentylsulfonylacetyl)amino]-5-methylsulfonylbenzoic acid
CID 119257853
3-[(2-methyl-2-methylsulfonylpropanoyl)amino]-5-methylsulfonylbenzoic acid
CID 119257906
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 154858329
3-(4-cyclopentylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257840
5-cyclopropyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 95621160

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid?
The IUPAC name of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid (CID 119257780) is 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid.
What is the SMILES notation for 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid?
The canonical SMILES for 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid is CS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)[nH]n2)cc(C(=O)O)c1.
What is the InChIKey of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid?
The InChIKey is ZWIZPTZYDKNVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-24(22,23)11-5-9(15(20)21)4-10(6-11)16-14(19)13-7-12(17-18-13)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid?
3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid has a molecular weight of 349.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid is sourced from PubChem (CID 119257780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).