5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C12H17F3N2 — CID 71204366

IUPAC5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)cc1C1CCCC1
InChIInChI=1S/C12H17F3N2/c1-8(2)17-10(9-5-3-4-6-9)7-11(16-17)12(13,14)15/h7-9H,3-6H2,1-2H3
InChIKeyYPHRCYNJZTZWGH-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.14
Rot. Bonds2

About 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 71204366) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID71204366
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)cc1C1CCCC1
InChIInChI=1S/C12H17F3N2/c1-8(2)17-10(9-5-3-4-6-9)7-11(16-17)12(13,14)15/h7-9H,3-6H2,1-2H3
InChIKeyYPHRCYNJZTZWGH-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 71204366) is 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1nc(C(F)(F)F)cc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is YPHRCYNJZTZWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8(2)17-10(9-5-3-4-6-9)7-11(16-17)12(13,14)15/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 71204366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).