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

C12H17F3N2 — CID 118153105

IUPAC4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)c(C2CCCC2)c1C
InChIInChI=1S/C12H17F3N2/c1-3-17-8(2)10(9-6-4-5-7-9)11(16-17)12(13,14)15/h9H,3-7H2,1-2H3
InChIKeyGWKPTPZOUJKWNF-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.89
Rot. Bonds2

About 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole

4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 118153105) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID118153105
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)c(C2CCCC2)c1C
InChIInChI=1S/C12H17F3N2/c1-3-17-8(2)10(9-6-4-5-7-9)11(16-17)12(13,14)15/h9H,3-7H2,1-2H3
InChIKeyGWKPTPZOUJKWNF-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)propanenitrile
CID 25247413
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636
Cambridge id 6066293
CID 5347470
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
CID 140239
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-1-methyl-4,5,6,7-tetrahydroindazole
CID 12031300
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methyl-4,5,6,7-tetrahydroindazole
CID 12031302

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole (CID 118153105) is 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)c(C2CCCC2)c1C.
What is the InChIKey of 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is GWKPTPZOUJKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-3-17-8(2)10(9-6-4-5-7-9)11(16-17)12(13,14)15/h9H,3-7H2,1-2H3.
What are the key properties of 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118153105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).