4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole

C11H15F3N2 — CID 71204348

IUPAC4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole
SMILESCCCn1nc(C(F)(F)F)c(C2CC2)c1C
InChIInChI=1S/C11H15F3N2/c1-3-6-16-7(2)9(8-4-5-8)10(15-16)11(12,13)14/h8H,3-6H2,1-2H3
InChIKeyJORWNIDEKBMFGK-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.50
Rot. Bonds3

About 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole

4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole (PubChem CID 71204348) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole
PubChem CID71204348
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole
SMILESCCCn1nc(C(F)(F)F)c(C2CC2)c1C
InChIInChI=1S/C11H15F3N2/c1-3-6-16-7(2)9(8-4-5-8)10(15-16)11(12,13)14/h8H,3-6H2,1-2H3
InChIKeyJORWNIDEKBMFGK-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole (CID 71204348) is 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole is CCCn1nc(C(F)(F)F)c(C2CC2)c1C.
What is the InChIKey of 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole?
The InChIKey is JORWNIDEKBMFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-6-16-7(2)9(8-4-5-8)10(15-16)11(12,13)14/h8H,3-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole?
4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole has a molecular weight of 232.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 71204348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).