4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole

C17H14FN3O3 — CID 118618665

IUPAC4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C17H14FN3O3/c1-24-15-8-2-12(3-9-15)10-20-11-16(18)17(19-20)13-4-6-14(7-5-13)21(22)23/h2-9,11H,10H2,1H3
InChIKeyZBCXLGZSUYQKQQ-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.65
Rot. Bonds5

About 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole

4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole (PubChem CID 118618665) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole
PubChem CID118618665
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C17H14FN3O3/c1-24-15-8-2-12(3-9-15)10-20-11-16(18)17(19-20)13-4-6-14(7-5-13)21(22)23/h2-9,11H,10H2,1H3
InChIKeyZBCXLGZSUYQKQQ-UHFFFAOYSA-N
XLogP3.65
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
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 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole 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

2-(4-methoxyphenyl)-6-nitro-2H-indazole
CID 622831
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 880209
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
1-[1-(4-methoxyphenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole
CID 3631325
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
4-(4-Methoxyphenyl)-1-[(4-nitrophenyl)methyl]triazole
CID 24789345
1-[1-(4-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-N-[(1-propyl-4-piperidyl)methyl]methanamine
CID 73349579
3-(4-methylpiperazin-1-yl)-N-[[1-(4-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]propan-1-amine
CID 73354107
2-(4-methylpiperazin-1-yl)-N-[[1-(4-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]ethanamine
CID 73357175

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole?
The IUPAC name of 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole (CID 118618665) is 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole?
The canonical SMILES for 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole is COc1ccc(Cn2cc(F)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole?
The InChIKey is ZBCXLGZSUYQKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-24-15-8-2-12(3-9-15)10-20-11-16(18)17(19-20)13-4-6-14(7-5-13)21(22)23/h2-9,11H,10H2,1H3.
What are the key properties of 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole?
4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole has a molecular weight of 327.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 118618665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).