3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole

C17H15F3N2 — CID 56590616

IUPAC3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
SMILESFC(F)(F)CN1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H15F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyKMJUFGHMKFXZOG-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.40
Rot. Bonds3

About 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole

3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole (PubChem CID 56590616) has the molecular formula C17H15F3N2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
PubChem CID56590616
Molecular FormulaC17H15F3N2
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
SMILESFC(F)(F)CN1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H15F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyKMJUFGHMKFXZOG-UHFFFAOYSA-N
XLogP4.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde
CID 2841378
1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 10376837
2-Methyl-3-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole
CID 2732715
3-(4-Fluorophenyl)-2-methyl-2,3,3a,4,5,6-hexahydrobenzo[6,7]cyclohepta[c]pyrazole
CID 2737842
(4-fluorophenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 2987469
(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)acetonitrile
CID 3544811
2-Methyl-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 275641
(S)-1-(3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44426731
1-Acetyl-5-(4-fluorophenyl)-3-phenyl-2-pyrazoline
CID 2829363
1-[3,5-Bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25145913

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
The IUPAC name of 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole (CID 56590616) is 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
The canonical SMILES for 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole is FC(F)(F)CN1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
The InChIKey is KMJUFGHMKFXZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-10,16H,11-12H2.
What are the key properties of 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole has a molecular weight of 304.31 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 56590616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).