2-nitro-N-phenylpyrazole-3-carboxamide

C10H8N4O3 — CID 69091209

IUPAC2-nitro-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnn1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O3/c15-10(12-8-4-2-1-3-5-8)9-6-7-11-13(9)14(16)17/h1-7H,(H,12,15)
InChIKeyDGJMOQSDCRUHOH-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.18
Rot. Bonds3

About 2-nitro-N-phenylpyrazole-3-carboxamide

2-nitro-N-phenylpyrazole-3-carboxamide (PubChem CID 69091209) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-nitro-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-nitro-N-phenylpyrazole-3-carboxamide
PubChem CID69091209
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name2-nitro-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnn1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O3/c15-10(12-8-4-2-1-3-5-8)9-6-7-11-13(9)14(16)17/h1-7H,(H,12,15)
InChIKeyDGJMOQSDCRUHOH-UHFFFAOYSA-N
XLogP1.18
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide
CID 45028411
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2,3-dinitro-N-phenylbenzamide
CID 18931494

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 2-nitro-N-phenylpyrazole-3-carboxamide (CID 69091209) is 2-nitro-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 2-nitro-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 2-nitro-N-phenylpyrazole-3-carboxamide is O=C(Nc1ccccc1)c1ccnn1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-phenylpyrazole-3-carboxamide?
The InChIKey is DGJMOQSDCRUHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-10(12-8-4-2-1-3-5-8)9-6-7-11-13(9)14(16)17/h1-7H,(H,12,15).
What are the key properties of 2-nitro-N-phenylpyrazole-3-carboxamide?
2-nitro-N-phenylpyrazole-3-carboxamide has a molecular weight of 232.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 69091209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).