5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole

C16H12FN3O2 — CID 102336731

IUPAC5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole
SMILESCc1ccc(-n2ncc([N+](=O)[O-])c2-c2ccccc2F)cc1
InChIInChI=1S/C16H12FN3O2/c1-11-6-8-12(9-7-11)19-16(15(10-18-19)20(21)22)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyGPQPALRYHDMOOA-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.90
Rot. Bonds3

About 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole

5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole (PubChem CID 102336731) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole
PubChem CID102336731
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole
SMILESCc1ccc(-n2ncc([N+](=O)[O-])c2-c2ccccc2F)cc1
InChIInChI=1S/C16H12FN3O2/c1-11-6-8-12(9-7-11)19-16(15(10-18-19)20(21)22)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyGPQPALRYHDMOOA-UHFFFAOYSA-N
XLogP3.90
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.90
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'}

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Related Compounds

1-(4-methylphenyl)-4-nitropyrazole-5-carbaldehyde
CID 139675378
5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole
CID 15041521
2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CID 29263901
1-(4-methylphenyl)-4,6-dinitroindazole
CID 3981439
5-chloro-4-nitro-1-phenylpyrazole
CID 105481380
5-methyl-1-(4-methylsulfonylphenyl)-4-nitropyrazole
CID 69093432
4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide
CID 134090030
[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 142677987
5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 115023285
3-[[5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide
CID 46518571
1,4-bis-(4-methylphenyl)sulfonyl-3,6-bis(2-nitrophenyl)-1,2,4,5-tetrazine
CID 154722122
1,2-difluoro-3-(2-fluorophenyl)-4-nitrobenzene
CID 46314527

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole?
The IUPAC name of 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole (CID 102336731) is 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole?
The canonical SMILES for 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole is Cc1ccc(-n2ncc([N+](=O)[O-])c2-c2ccccc2F)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole?
The InChIKey is GPQPALRYHDMOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-11-6-8-12(9-7-11)19-16(15(10-18-19)20(21)22)13-4-2-3-5-14(13)17/h2-10H,1H3.
What are the key properties of 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole?
5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole has a molecular weight of 297.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole is sourced from PubChem (CID 102336731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).