5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole

C11H15F3N2 — CID 83382476

IUPAC5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C11H15F3N2/c1-16-9(8-5-3-2-4-6-8)7-10(15-16)11(12,13)14/h7-8H,2-6H2,1H3
InChIKeyBERHFXCKTGBDFY-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.49
Rot. Bonds1

About 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole

5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 83382476) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID83382476
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C11H15F3N2/c1-16-9(8-5-3-2-4-6-8)7-10(15-16)11(12,13)14/h7-8H,2-6H2,1H3
InChIKeyBERHFXCKTGBDFY-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole (CID 83382476) is 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is BERHFXCKTGBDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-16-9(8-5-3-2-4-6-8)7-10(15-16)11(12,13)14/h7-8H,2-6H2,1H3.
What are the key properties of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole?
5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 232.25 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 83382476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).