N-(2-aminophenyl)-1H-pyrazole-4-carboxamide

C10H10N4O — CID 43600055

IUPACN-(2-aminophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1ccccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C10H10N4O/c11-8-3-1-2-4-9(8)14-10(15)7-5-12-13-6-7/h1-6H,11H2,(H,12,13)(H,14,15)
InChIKeyAHEPPCMLVJGOSD-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.24
Rot. Bonds2

About N-(2-aminophenyl)-1H-pyrazole-4-carboxamide

N-(2-aminophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43600055) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-(2-aminophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1H-pyrazole-4-carboxamide
PubChem CID43600055
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-(2-aminophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1ccccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C10H10N4O/c11-8-3-1-2-4-9(8)14-10(15)7-5-12-13-6-7/h1-6H,11H2,(H,12,13)(H,14,15)
InChIKeyAHEPPCMLVJGOSD-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.24
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

N-(3-amino-4-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63084907
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 60967253
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 104826398
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 76983819
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
N-[2-(3,3-dimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide
CID 141162779
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1H-pyrazole-4-carboxamide (CID 43600055) is N-(2-aminophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1H-pyrazole-4-carboxamide is Nc1ccccc1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-aminophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AHEPPCMLVJGOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-8-3-1-2-4-9(8)14-10(15)7-5-12-13-6-7/h1-6H,11H2,(H,12,13)(H,14,15).
What are the key properties of N-(2-aminophenyl)-1H-pyrazole-4-carboxamide?
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43600055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).