4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C12H17F3N2 — CID 129128446

IUPAC4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(CCC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2/c1-8(2)17-7-10(6-5-9-3-4-9)11(16-17)12(13,14)15/h7-9H,3-6H2,1-2H3
InChIKeyULZNPWAXSPEDDZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.83
Rot. Bonds4

About 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 129128446) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID129128446
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(CCC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2/c1-8(2)17-7-10(6-5-9-3-4-9)11(16-17)12(13,14)15/h7-9H,3-6H2,1-2H3
InChIKeyULZNPWAXSPEDDZ-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 129128446) is 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1cc(CCC2CC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is ULZNPWAXSPEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8(2)17-7-10(6-5-9-3-4-9)11(16-17)12(13,14)15/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 129128446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).