4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole

C16H12FN3O2 — CID 135063695

IUPAC4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1F
InChIInChI=1S/C16H12FN3O2/c1-11-15(17)16(12-5-3-2-4-6-12)19(18-11)13-7-9-14(10-8-13)20(21)22/h2-10H,1H3
InChIKeyAECJEZNBLBMHIP-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.90
Rot. Bonds3

About 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole

4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole (PubChem CID 135063695) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole
PubChem CID135063695
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1F
InChIInChI=1S/C16H12FN3O2/c1-11-15(17)16(12-5-3-2-4-6-12)19(18-11)13-7-9-14(10-8-13)20(21)22/h2-10H,1H3
InChIKeyAECJEZNBLBMHIP-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

2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
3-methyl-1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-amine
CID 1263645
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole
CID 252929
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
5-(4-Nitrophenyl)-1,3-diphenylpyrazole
CID 4350772
5-(4-Fluoro-phenyl)-1-(4-nitro-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 11792223
1-(4-Azido-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole
CID 10472597
1-(4-Azido-phenyl)-3-p-tolyl-5-trifluoromethyl-1H-pyrazole
CID 10914865
3-Pentyl-1,5-diphenylpyrazole
CID 71583291
1H-Pyrazole, 5-(4-nitrophenyl)-1-phenyl-3-(trifluoromethyl)-
CID 11522819

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole?
The IUPAC name of 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole (CID 135063695) is 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole.
What is the SMILES notation for 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole?
The canonical SMILES for 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1F.
What is the InChIKey of 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole?
The InChIKey is AECJEZNBLBMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-11-15(17)16(12-5-3-2-4-6-12)19(18-11)13-7-9-14(10-8-13)20(21)22/h2-10H,1H3.
What are the key properties of 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole?
4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole 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 4-fluoro-3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole is sourced from PubChem (CID 135063695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).