2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide

C11H15F3N4O — CID 122633454

IUPAC2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1C1CCN(CC(N)=O)C1
InChIInChI=1S/C11H15F3N4O/c1-7-4-9(11(12,13)14)16-18(7)8-2-3-17(5-8)6-10(15)19/h4,8H,2-3,5-6H2,1H3,(H2,15,19)
InChIKeyDGSRWFRZCPECAC-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.94
Rot. Bonds3

About 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide

2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide (PubChem CID 122633454) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide
PubChem CID122633454
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1C1CCN(CC(N)=O)C1
InChIInChI=1S/C11H15F3N4O/c1-7-4-9(11(12,13)14)16-18(7)8-2-3-17(5-8)6-10(15)19/h4,8H,2-3,5-6H2,1H3,(H2,15,19)
InChIKeyDGSRWFRZCPECAC-UHFFFAOYSA-N
XLogP0.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide 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 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide (CID 122633454) is 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1C1CCN(CC(N)=O)C1.
What is the InChIKey of 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is DGSRWFRZCPECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7-4-9(11(12,13)14)16-18(7)8-2-3-17(5-8)6-10(15)19/h4,8H,2-3,5-6H2,1H3,(H2,15,19).
What are the key properties of 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide?
2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 122633454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).