5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole

C9H12F3N3 — CID 123827289

IUPAC5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1CCNC1
InChIInChI=1S/C9H12F3N3/c1-6-4-8(9(10,11)12)14-15(6)7-2-3-13-5-7/h4,7,13H,2-3,5H2,1H3
InChIKeyRIAGLIMXEIPAFN-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.74
Rot. Bonds1

About 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole

5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole (PubChem CID 123827289) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole
PubChem CID123827289
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1CCNC1
InChIInChI=1S/C9H12F3N3/c1-6-4-8(9(10,11)12)14-15(6)7-2-3-13-5-7/h4,7,13H,2-3,5H2,1H3
InChIKeyRIAGLIMXEIPAFN-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-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-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole (CID 123827289) is 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1C1CCNC1.
What is the InChIKey of 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is RIAGLIMXEIPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-4-8(9(10,11)12)14-15(6)7-2-3-13-5-7/h4,7,13H,2-3,5H2,1H3.
What are the key properties of 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole?
5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 219.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 123827289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).