1-cyclopentyl-3-(trifluoromethyl)pyrazole

C9H11F3N2 — CID 66016918

IUPAC1-cyclopentyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C2CCCC2)n1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-5-6-14(13-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyQEJYBYQGUSANCM-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.02
Rot. Bonds1

About 1-cyclopentyl-3-(trifluoromethyl)pyrazole

1-cyclopentyl-3-(trifluoromethyl)pyrazole (PubChem CID 66016918) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-cyclopentyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-(trifluoromethyl)pyrazole
PubChem CID66016918
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name1-cyclopentyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C2CCCC2)n1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-5-6-14(13-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyQEJYBYQGUSANCM-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-cyclopentyl-3-(trifluoromethyl)pyrazole (CID 66016918) is 1-cyclopentyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-(trifluoromethyl)pyrazole?
The InChIKey is QEJYBYQGUSANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)8-5-6-14(13-8)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 1-cyclopentyl-3-(trifluoromethyl)pyrazole?
1-cyclopentyl-3-(trifluoromethyl)pyrazole has a molecular weight of 204.19 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66016918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).