3-(3-aminophenyl)-1H-indazole-5-carboxamide

C14H12N4O — CID 22479700

IUPAC3-(3-aminophenyl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(N)c3)c2c1
InChIInChI=1S/C14H12N4O/c15-10-3-1-2-8(6-10)13-11-7-9(14(16)19)4-5-12(11)17-18-13/h1-7H,15H2,(H2,16,19)(H,17,18)
InChIKeyAQELJUKFZVADFF-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.91
Rot. Bonds2

About 3-(3-aminophenyl)-1H-indazole-5-carboxamide

3-(3-aminophenyl)-1H-indazole-5-carboxamide (PubChem CID 22479700) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-1H-indazole-5-carboxamide
PubChem CID22479700
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-(3-aminophenyl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(N)c3)c2c1
InChIInChI=1S/C14H12N4O/c15-10-3-1-2-8(6-10)13-11-7-9(14(16)19)4-5-12(11)17-18-13/h1-7H,15H2,(H2,16,19)(H,17,18)
InChIKeyAQELJUKFZVADFF-UHFFFAOYSA-N
XLogP1.91
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N'-benzoyl-1H-indazole-3-carbohydrazide
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N-(3-methylphenyl)-1H-indazole-3-carboxamide
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n-Phenyl-1h-indazole-5-carboxamide
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N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 118959947
3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 129052097
2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
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N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]benzamide
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CID 15684169

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-aminophenyl)-1H-indazole-5-carboxamide (CID 22479700) is 3-(3-aminophenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-aminophenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-aminophenyl)-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(N)c3)c2c1.
What is the InChIKey of 3-(3-aminophenyl)-1H-indazole-5-carboxamide?
The InChIKey is AQELJUKFZVADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-10-3-1-2-8(6-10)13-11-7-9(14(16)19)4-5-12(11)17-18-13/h1-7H,15H2,(H2,16,19)(H,17,18).
What are the key properties of 3-(3-aminophenyl)-1H-indazole-5-carboxamide?
3-(3-aminophenyl)-1H-indazole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).