5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole

C11H16F3N3 — CID 134331588

IUPAC5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCNC1
InChIInChI=1S/C11H16F3N3/c1-7(2)9-5-10(11(12,13)14)16-17(9)8-3-4-15-6-8/h5,7-8,15H,3-4,6H2,1-2H3
InChIKeySDNHTSKXJRXKGN-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.56
Rot. Bonds2

About 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole

5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole (PubChem CID 134331588) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole
PubChem CID134331588
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCNC1
InChIInChI=1S/C11H16F3N3/c1-7(2)9-5-10(11(12,13)14)16-17(9)8-3-4-15-6-8/h5,7-8,15H,3-4,6H2,1-2H3
InChIKeySDNHTSKXJRXKGN-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-1-pyrrolidin-3-yl-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 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole (CID 134331588) is 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1C1CCNC1.
What is the InChIKey of 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is SDNHTSKXJRXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)9-5-10(11(12,13)14)16-17(9)8-3-4-15-6-8/h5,7-8,15H,3-4,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 247.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 134331588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).