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

C10H13F3N2 — CID 83382254

IUPAC5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-15-8(7-4-2-3-5-7)6-9(14-15)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyFKRUUOLPXJZAGV-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.10
Rot. Bonds1

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

5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 83382254) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID83382254
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-15-8(7-4-2-3-5-7)6-9(14-15)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyFKRUUOLPXJZAGV-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole (CID 83382254) is 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is FKRUUOLPXJZAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15-8(7-4-2-3-5-7)6-9(14-15)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole?
5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 218.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 83382254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).