4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid

C15H11N3O4 — CID 170858293

IUPAC4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H11N3O4/c19-12-6-5-8(15(21)22)7-11(12)16-14(20)13-9-3-1-2-4-10(9)17-18-13/h1-7,19H,(H,16,20)(H,17,18)(H,21,22)
InChIKeyMTZKQHRCZJJLTB-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.22
Rot. Bonds3

About 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid

4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid (PubChem CID 170858293) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid
PubChem CID170858293
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H11N3O4/c19-12-6-5-8(15(21)22)7-11(12)16-14(20)13-9-3-1-2-4-10(9)17-18-13/h1-7,19H,(H,16,20)(H,17,18)(H,21,22)
InChIKeyMTZKQHRCZJJLTB-UHFFFAOYSA-N
XLogP2.22
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic 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-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide
CID 86075446
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 31618688
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
6-(1H-indazole-3-carbonylamino)pyridine-2-carboxylic acid
CID 63643067
5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481950
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
3-(methylcarbamoyl)-1H-indazole-5-carboxylic acid
CID 70896144
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
CID 108753900

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid?
The IUPAC name of 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid (CID 170858293) is 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid?
The canonical SMILES for 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid is O=C(O)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid?
The InChIKey is MTZKQHRCZJJLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-12-6-5-8(15(21)22)7-11(12)16-14(20)13-9-3-1-2-4-10(9)17-18-13/h1-7,19H,(H,16,20)(H,17,18)(H,21,22).
What are the key properties of 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid?
4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid has a molecular weight of 297.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid is sourced from PubChem (CID 170858293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).