4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C12H17F3N2 — CID 71204299

IUPAC4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C12H17F3N2/c1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyYPICAWUFMJZDAT-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.92
Rot. Bonds3

About 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 71204299) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID71204299
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C12H17F3N2/c1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyYPICAWUFMJZDAT-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 71204299) is 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is YPICAWUFMJZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 71204299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).