1-(3-fluorophenyl)-3-nitropyrazole

C9H6FN3O2 — CID 125478543

IUPAC1-(3-fluorophenyl)-3-nitropyrazole
SMILESO=[N+]([O-])c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C9H6FN3O2/c10-7-2-1-3-8(6-7)12-5-4-9(11-12)13(14)15/h1-6H
InChIKeyHAOMTEXWZGELHL-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.92
Rot. Bonds2

About 1-(3-fluorophenyl)-3-nitropyrazole

1-(3-fluorophenyl)-3-nitropyrazole (PubChem CID 125478543) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-nitropyrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-nitropyrazole
PubChem CID125478543
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name1-(3-fluorophenyl)-3-nitropyrazole
SMILESO=[N+]([O-])c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C9H6FN3O2/c10-7-2-1-3-8(6-7)12-5-4-9(11-12)13(14)15/h1-6H
InChIKeyHAOMTEXWZGELHL-UHFFFAOYSA-N
XLogP1.92
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-3-nitropyrazole 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-methyl-1-(4-nitrophenyl)-1H-pyrazole
CID 804933
1-phenyl-1H-pyrazol-3-amine
CID 594320
1-(2-fluorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3813351
1-(3-nitrophenyl)-1H-pyrazole
CID 12100781
1-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 12678771
1-(4-fluorophenyl)-1H-pyrazole
CID 19937184
4-nitro-1-phenyl-1H-pyrazole
CID 2755894
Pyrazole, 3-(dimethylamino)-1-phenyl-
CID 209328
1-phenyl-1H-pyrazol-3-amine hydrochloride
CID 2860831
1-(4-fluorobenzyl)-3-nitro-1H-pyrazole
CID 973650
1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 2795595
4-bromo-3-nitro-1-phenyl-1H-pyrazole
CID 17065405

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-nitropyrazole?
The IUPAC name of 1-(3-fluorophenyl)-3-nitropyrazole (CID 125478543) is 1-(3-fluorophenyl)-3-nitropyrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-3-nitropyrazole?
The canonical SMILES for 1-(3-fluorophenyl)-3-nitropyrazole is O=[N+]([O-])c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-3-nitropyrazole?
The InChIKey is HAOMTEXWZGELHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-7-2-1-3-8(6-7)12-5-4-9(11-12)13(14)15/h1-6H.
What are the key properties of 1-(3-fluorophenyl)-3-nitropyrazole?
1-(3-fluorophenyl)-3-nitropyrazole has a molecular weight of 207.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-nitropyrazole is sourced from PubChem (CID 125478543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).