(5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole

C16H14F2N2 — CID 141130433

IUPAC(5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
SMILESC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1
InChIInChI=1S/C16H14F2N2/c1-16(11-5-3-2-4-6-11)10-15(19-20-16)13-9-12(17)7-8-14(13)18/h2-9,20H,10H2,1H3/t16-/m0/s1
InChIKeyFXAPDCBGDCIGOR-INIZCTEOSA-N
MW272.30 g/mol
LogP3.58
Rot. Bonds2

About (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole

(5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole (PubChem CID 141130433) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole.

Molecular Properties

Compound Name(5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
PubChem CID141130433
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name(5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
SMILESC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1
InChIInChI=1S/C16H14F2N2/c1-16(11-5-3-2-4-6-11)10-15(19-20-16)13-9-12(17)7-8-14(13)18/h2-9,20H,10H2,1H3/t16-/m0/s1
InChIKeyFXAPDCBGDCIGOR-INIZCTEOSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole 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 (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
The IUPAC name of (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole (CID 141130433) is (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole.
What is the SMILES notation for (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
The canonical SMILES for (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole is C[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1.
What is the InChIKey of (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
The InChIKey is FXAPDCBGDCIGOR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-16(11-5-3-2-4-6-11)10-15(19-20-16)13-9-12(17)7-8-14(13)18/h2-9,20H,10H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
(5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole has a molecular weight of 272.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole is sourced from PubChem (CID 141130433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).