1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone

C18H16F2N2O — CID 10193241

IUPAC1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C18H16F2N2O/c1-12(23)22-18(2,13-6-4-3-5-7-13)11-17(21-22)15-10-14(19)8-9-16(15)20/h3-10H,11H2,1-2H3
InChIKeySFTHURXPSHMJGY-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.84
Rot. Bonds2

About 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone

1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone (PubChem CID 10193241) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone
PubChem CID10193241
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C18H16F2N2O/c1-12(23)22-18(2,13-6-4-3-5-7-13)11-17(21-22)15-10-14(19)8-9-16(15)20/h3-10H,11H2,1-2H3
InChIKeySFTHURXPSHMJGY-UHFFFAOYSA-N
XLogP3.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone 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-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone (CID 10193241) is 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone is CC(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1.
What is the InChIKey of 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone?
The InChIKey is SFTHURXPSHMJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-12(23)22-18(2,13-6-4-3-5-7-13)11-17(21-22)15-10-14(19)8-9-16(15)20/h3-10H,11H2,1-2H3.
What are the key properties of 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone?
1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone has a molecular weight of 314.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 10193241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).