1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C17H14F2N2O — CID 10149544

IUPAC1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3
InChIKeyKZGOVHLBKDLTGK-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.66
Rot. Bonds2

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

1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 10149544) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID10149544
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3
InChIKeyKZGOVHLBKDLTGK-UHFFFAOYSA-N
XLogP3.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-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-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 10149544) is 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is KZGOVHLBKDLTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 300.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 10149544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).