2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid

C15H13N3O5 — CID 166328693

IUPAC2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)c2coc3cccc(O)c23)n(CC(=O)O)n1
InChIInChI=1S/C15H13N3O5/c1-8-5-12(18(17-8)6-13(20)21)16-15(22)9-7-23-11-4-2-3-10(19)14(9)11/h2-5,7,19H,6H2,1H3,(H,16,22)(H,20,21)
InChIKeyUQSHDCHCZGKTJH-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.98
Rot. Bonds4

About 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid

2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid (PubChem CID 166328693) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid
PubChem CID166328693
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)c2coc3cccc(O)c23)n(CC(=O)O)n1
InChIInChI=1S/C15H13N3O5/c1-8-5-12(18(17-8)6-13(20)21)16-15(22)9-7-23-11-4-2-3-10(19)14(9)11/h2-5,7,19H,6H2,1H3,(H,16,22)(H,20,21)
InChIKeyUQSHDCHCZGKTJH-UHFFFAOYSA-N
XLogP1.98
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic 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

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482723
2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid
CID 154846411
N-(2-benzyl-5-methylpyrazol-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 52762664
2-[5-[(5-fluorothiophen-2-yl)methylamino]-3-methylpyrazol-1-yl]acetic acid;hydrochloride
CID 126968101
ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine
CID 153350448
N-(2-benzyl-5-methylpyrazol-3-yl)-5-chloro-2-iodobenzamide
CID 60553051
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide
CID 21250740
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid (CID 166328693) is 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid is Cc1cc(NC(=O)c2coc3cccc(O)c23)n(CC(=O)O)n1.
What is the InChIKey of 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid?
The InChIKey is UQSHDCHCZGKTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-8-5-12(18(17-8)6-13(20)21)16-15(22)9-7-23-11-4-2-3-10(19)14(9)11/h2-5,7,19H,6H2,1H3,(H,16,22)(H,20,21).
What are the key properties of 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid?
2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid has a molecular weight of 315.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-hydroxy-1-benzofuran-3-carbonyl)amino]-3-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 166328693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).