1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide

C10H7FN4O3 — CID 64782731

IUPAC1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(F)c2[N+](=O)[O-])c1
InChIInChI=1S/C10H7FN4O3/c11-7-2-1-3-8(9(7)15(17)18)14-5-6(4-13-14)10(12)16/h1-5H,(H2,12,16)
InChIKeyLECHVUPFENIQEC-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.02
Rot. Bonds3

About 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide

1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide (PubChem CID 64782731) has the molecular formula C10H7FN4O3 and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide
PubChem CID64782731
Molecular FormulaC10H7FN4O3
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC Name1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cccc(F)c2[N+](=O)[O-])c1
InChIInChI=1S/C10H7FN4O3/c11-7-2-1-3-8(9(7)15(17)18)14-5-6(4-13-14)10(12)16/h1-5H,(H2,12,16)
InChIKeyLECHVUPFENIQEC-UHFFFAOYSA-N
XLogP1.02
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide (CID 64782731) is 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cccc(F)c2[N+](=O)[O-])c1.
What is the InChIKey of 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide?
The InChIKey is LECHVUPFENIQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3/c11-7-2-1-3-8(9(7)15(17)18)14-5-6(4-13-14)10(12)16/h1-5H,(H2,12,16).
What are the key properties of 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide?
1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide has a molecular weight of 250.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 64782731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).