ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole

C13H17F3N2 — CID 153380641

IUPACethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCC.CC1=NN(c2ccccc2)C(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2.C2H6/c1-8-7-10(11(12,13)14)16(15-8)9-5-3-2-4-6-9;1-2/h2-6,10H,7H2,1H3;1-2H3
InChIKeyOTLLFIZRDBVCND-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.23
Rot. Bonds1

About ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole

ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 153380641) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Nameethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID153380641
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Nameethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCC.CC1=NN(c2ccccc2)C(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2.C2H6/c1-8-7-10(11(12,13)14)16(15-8)9-5-3-2-4-6-9;1-2/h2-6,10H,7H2,1H3;1-2H3
InChIKeyOTLLFIZRDBVCND-UHFFFAOYSA-N
XLogP4.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-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

3,4-dimethyl-1-[2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]pyrrole-2,5-dione
CID 134255382
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160988
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
CID 7570848
[4-(5-methyl-2-phenyl-3,4-dihydropyrazol-3-yl)phenyl]methanesulfinate
CID 174449441
2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine
CID 90078631
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
5-methyl-2-(3-methylphenyl)-3,4-dihydropyrazol-3-amine
CID 118040280
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-amine
CID 92982843
1-methyl-3-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]azepan-2-one
CID 67572624

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole (CID 153380641) is ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole is CC.CC1=NN(c2ccccc2)C(C(F)(F)F)C1.
What is the InChIKey of ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is OTLLFIZRDBVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2.C2H6/c1-8-7-10(11(12,13)14)16(15-8)9-5-3-2-4-6-9;1-2/h2-6,10H,7H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 258.29 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 153380641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).