3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole

C12H15F3N2 — CID 143926111

IUPAC3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
SMILESCC1C=C(C2=CCCC=C2)N(CC(F)(F)F)N1
InChIInChI=1S/C12H15F3N2/c1-9-7-11(10-5-3-2-4-6-10)17(16-9)8-12(13,14)15/h3,5-7,9,16H,2,4,8H2,1H3
InChIKeyOKCASYZWYBFDLG-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.92
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole

3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole (PubChem CID 143926111) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
PubChem CID143926111
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
SMILESCC1C=C(C2=CCCC=C2)N(CC(F)(F)F)N1
InChIInChI=1S/C12H15F3N2/c1-9-7-11(10-5-3-2-4-6-10)17(16-9)8-12(13,14)15/h3,5-7,9,16H,2,4,8H2,1H3
InChIKeyOKCASYZWYBFDLG-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole with MolForge

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Related Compounds

7-Chloro-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-a]pyridine
CID 134468902
(2S,3Z)-5-methyl-3-[2-methyl-2-[(Z)-1,1,1-trifluorobut-2-en-2-yl]hydrazinyl]hexa-3,5-dien-2-amine
CID 137447313
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole;ethane
CID 143926110
4,4-difluoro-2H-indol-1-amine;hydrochloride
CID 158200056
2-(3,4-Difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole
CID 163741734
2-(2,2-Difluoroethyl)-1,7a-dihydroindazol-5-amine
CID 163989332
3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136812
ethane;3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136839
4,4-difluoro-2H-indol-1-amine
CID 158200057
3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 160896325
N,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 161823292
2-Methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole
CID 162618946

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole (CID 143926111) is 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole is CC1C=C(C2=CCCC=C2)N(CC(F)(F)F)N1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole?
The InChIKey is OKCASYZWYBFDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-9-7-11(10-5-3-2-4-6-10)17(16-9)8-12(13,14)15/h3,5-7,9,16H,2,4,8H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole?
3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole has a molecular weight of 244.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole is sourced from PubChem (CID 143926111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).