3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid

C15H11N3O3S — CID 142738671

IUPAC3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C15H11N3O3S/c19-14(17-10-4-1-3-9(7-10)15(20)21)11-8-16-18-13(11)12-5-2-6-22-12/h1-8H,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGSSVEGJLIAEAJC-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.09
Rot. Bonds4

About 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid

3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid (PubChem CID 142738671) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
PubChem CID142738671
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C15H11N3O3S/c19-14(17-10-4-1-3-9(7-10)15(20)21)11-8-16-18-13(11)12-5-2-6-22-12/h1-8H,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGSSVEGJLIAEAJC-UHFFFAOYSA-N
XLogP3.09
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6103347
N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6261074
N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55975946
3-[[3-[(2-thiophen-2-ylacetyl)amino]benzoyl]amino]benzoic acid
CID 1026629
5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
CID 141273560
methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 56548711
N-[(3,4-dimethoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824137
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828

Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid (CID 142738671) is 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cn[nH]c2-c2cccs2)c1.
What is the InChIKey of 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
The InChIKey is GSSVEGJLIAEAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-14(17-10-4-1-3-9(7-10)15(20)21)11-8-16-18-13(11)12-5-2-6-22-12/h1-8H,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid has a molecular weight of 313.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 142738671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).