N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

C12H11N5O4 — CID 60959424

IUPACN-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESNC(=O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H11N5O4/c13-11(18)7-14-12(19)10-4-5-16(15-10)8-2-1-3-9(6-8)17(20)21/h1-6H,7H2,(H2,13,18)(H,14,19)
InChIKeyGZPDGPJFZIXSSP-UHFFFAOYSA-N
MW289.25 g/mol
LogP-0.00
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 60959424) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
PubChem CID60959424
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC NameN-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESNC(=O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H11N5O4/c13-11(18)7-14-12(19)10-4-5-16(15-10)8-2-1-3-9(6-8)17(20)21/h1-6H,7H2,(H2,13,18)(H,14,19)
InChIKeyGZPDGPJFZIXSSP-UHFFFAOYSA-N
XLogP-0.00
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide 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

3-[[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]methyl]benzoic acid
CID 75415552
N-[3-(aminomethyl)pentan-3-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119570628
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38493707
N-(2-amino-2-oxoethyl)-1-(2-nitrophenyl)pyrazole-3-carboxamide
CID 64590610
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55683724
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55952742
N-[(3-hydroxycyclohexyl)methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 111460182
N-[[3-(difluoromethoxy)phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 49336590
2-methyl-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119199289
1-(3-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55678999
1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 38604575
3-methyl-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119170073

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide (CID 60959424) is N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide is NC(=O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is GZPDGPJFZIXSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c13-11(18)7-14-12(19)10-4-5-16(15-10)8-2-1-3-9(6-8)17(20)21/h1-6H,7H2,(H2,13,18)(H,14,19).
What are the key properties of N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 289.25 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 60959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).