N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide

C15H13N5O — CID 62881555

IUPACN-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESNc1ccc(-n2nccc2NC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H13N5O/c16-11-4-6-12(7-5-11)20-14(8-10-18-20)19-15(21)13-3-1-2-9-17-13/h1-10H,16H2,(H,19,21)
InChIKeyFVAKZOCIHXRFIN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.10
Rot. Bonds3

About N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide

N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 62881555) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID62881555
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESNc1ccc(-n2nccc2NC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H13N5O/c16-11-4-6-12(7-5-11)20-14(8-10-18-20)19-15(21)13-3-1-2-9-17-13/h1-10H,16H2,(H,19,21)
InChIKeyFVAKZOCIHXRFIN-UHFFFAOYSA-N
XLogP2.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 62881880
2-amino-N-(2-phenylpyrazol-3-yl)benzamide
CID 14638390
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
2-amino-N-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 142772376
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-(2-phenylpyrazol-3-yl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23822716
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide
CID 122136059
2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine
CID 114804734
N-(6-oxo-1-phenyl-3-pyridinyl)pyridine-2-carboxamide
CID 175201913

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide (CID 62881555) is N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide is Nc1ccc(-n2nccc2NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is FVAKZOCIHXRFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-11-4-6-12(7-5-11)20-14(8-10-18-20)19-15(21)13-3-1-2-9-17-13/h1-10H,16H2,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide?
N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 62881555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).