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

C10H13F3N2 — CID 138655272

IUPAC1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-7-6-9(10(11,12)13)14-15(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyDOBNRWWTEVCRLK-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.33
Rot. Bonds1

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

1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 138655272) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID138655272
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-7-6-9(10(11,12)13)14-15(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyDOBNRWWTEVCRLK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole (CID 138655272) is 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DOBNRWWTEVCRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7-6-9(10(11,12)13)14-15(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole?
1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 218.22 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 138655272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).