1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole

C12H17F3N2 — CID 122632565

IUPAC1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C2CCCCC2)c1C
InChIInChI=1S/C12H17F3N2/c1-8-9(2)17(10-6-4-3-5-7-10)16-11(8)12(13,14)15/h10H,3-7H2,1-2H3
InChIKeyIPQUZXFPVIPZIE-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.02
Rot. Bonds1

About 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole

1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 122632565) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID122632565
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C2CCCCC2)c1C
InChIInChI=1S/C12H17F3N2/c1-8-9(2)17(10-6-4-3-5-7-10)16-11(8)12(13,14)15/h10H,3-7H2,1-2H3
InChIKeyIPQUZXFPVIPZIE-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-Trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 99802468
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
pentyl[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 28612057
[(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methyl]-amine hydrochloride
CID 54758992

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 122632565) is 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole is Cc1c(C(F)(F)F)nn(C2CCCCC2)c1C.
What is the InChIKey of 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is IPQUZXFPVIPZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8-9(2)17(10-6-4-3-5-7-10)16-11(8)12(13,14)15/h10H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 122632565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).