1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole

C12H17F3N2 — CID 122632520

IUPAC1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1c(CC(F)(F)F)nn(C2CCCC2)c1C
InChIInChI=1S/C12H17F3N2/c1-8-9(2)17(10-5-3-4-6-10)16-11(8)7-12(13,14)15/h10H,3-7H2,1-2H3
InChIKeyWVYZJSYSWYOXQL-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.72
Rot. Bonds2

About 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole

1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 122632520) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole
PubChem CID122632520
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1c(CC(F)(F)F)nn(C2CCCC2)c1C
InChIInChI=1S/C12H17F3N2/c1-8-9(2)17(10-5-3-4-6-10)16-11(8)7-12(13,14)15/h10H,3-7H2,1-2H3
InChIKeyWVYZJSYSWYOXQL-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
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
4-[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidin-1-yl]butanenitrile
CID 72141649
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636
Cambridge id 6066293
CID 5347470
1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole (CID 122632520) is 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole is Cc1c(CC(F)(F)F)nn(C2CCCC2)c1C.
What is the InChIKey of 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is WVYZJSYSWYOXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8-9(2)17(10-5-3-4-6-10)16-11(8)7-12(13,14)15/h10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole?
1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 122632520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).