3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C10H9N3O3S — CID 64529037

IUPAC3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)s1
InChIInChI=1S/C10H9N3O3S/c1-5-2-3-7(17-5)9(14)11-8-4-6(10(15)16)12-13-8/h2-4H,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyXJOJEKFMNOAGCB-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.73
Rot. Bonds3

About 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64529037) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64529037
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)s1
InChIInChI=1S/C10H9N3O3S/c1-5-2-3-7(17-5)9(14)11-8-4-6(10(15)16)12-13-8/h2-4H,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyXJOJEKFMNOAGCB-UHFFFAOYSA-N
XLogP1.73
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-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-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526265
3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528858
3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528655
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 115594741
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61292956
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870
N-(5-chloropyrazin-2-yl)-5-methylthiophene-2-carboxamide
CID 104964172
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654434

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64529037) is 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)s1.
What is the InChIKey of 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is XJOJEKFMNOAGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-5-2-3-7(17-5)9(14)11-8-4-6(10(15)16)12-13-8/h2-4H,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64529037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).