3-benzamido-1H-indazole-5-carboxylic acid

C15H11N3O3 — CID 129093990

IUPAC3-benzamido-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H11N3O3/c19-14(9-4-2-1-3-5-9)16-13-11-8-10(15(20)21)6-7-12(11)17-18-13/h1-8H,(H,20,21)(H2,16,17,18,19)
InChIKeyFKWLDYWWAUZUCW-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.51
Rot. Bonds3

About 3-benzamido-1H-indazole-5-carboxylic acid

3-benzamido-1H-indazole-5-carboxylic acid (PubChem CID 129093990) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-benzamido-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-benzamido-1H-indazole-5-carboxylic acid
PubChem CID129093990
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name3-benzamido-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H11N3O3/c19-14(9-4-2-1-3-5-9)16-13-11-8-10(15(20)21)6-7-12(11)17-18-13/h1-8H,(H,20,21)(H2,16,17,18,19)
InChIKeyFKWLDYWWAUZUCW-UHFFFAOYSA-N
XLogP2.51
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide
CID 129094014
3-benzamido-N-(3-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 142752240
4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 71907763
N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
CID 22567162
(3,4-dichlorophenyl) 3-benzamido-1H-indazole-5-sulfonate
CID 22567407
(3-benzamido-1H-indazol-5-yl) 3-fluorobenzenesulfonate
CID 22567287
N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide
CID 171349662
3-(methylcarbamoyl)-1H-indazole-5-carboxylic acid
CID 70896144

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-benzamido-1H-indazole-5-carboxylic acid (CID 129093990) is 3-benzamido-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-benzamido-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-benzamido-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1.
What is the InChIKey of 3-benzamido-1H-indazole-5-carboxylic acid?
The InChIKey is FKWLDYWWAUZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14(9-4-2-1-3-5-9)16-13-11-8-10(15(20)21)6-7-12(11)17-18-13/h1-8H,(H,20,21)(H2,16,17,18,19).
What are the key properties of 3-benzamido-1H-indazole-5-carboxylic acid?
3-benzamido-1H-indazole-5-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 129093990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).