3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole

C10H13F3N2 — CID 162615531

IUPAC3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1cn(CC(F)(F)F)nc1C1CC1
InChIInChI=1S/C10H13F3N2/c1-2-7-5-15(6-10(11,12)13)14-9(7)8-3-4-8/h5,8H,2-4,6H2,1H3
InChIKeyWIESTRFASRQEJL-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.89
Rot. Bonds3

About 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole

3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 162615531) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID162615531
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1cn(CC(F)(F)F)nc1C1CC1
InChIInChI=1S/C10H13F3N2/c1-2-7-5-15(6-10(11,12)13)14-9(7)8-3-4-8/h5,8H,2-4,6H2,1H3
InChIKeyWIESTRFASRQEJL-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 162615531) is 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole is CCc1cn(CC(F)(F)F)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is WIESTRFASRQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-2-7-5-15(6-10(11,12)13)14-9(7)8-3-4-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 218.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 162615531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).