N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H16F3N3O — CID 106390957

IUPACN-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCn1cccc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(3-4-16-9-11)10(19)17-5-8-18-6-1-2-7-18/h1-2,6-7,16H,3-5,8-9H2,(H,17,19)
InChIKeyVMOQLAKVUHWXIU-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.15
Rot. Bonds4

About N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106390957) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106390957
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCn1cccc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(3-4-16-9-11)10(19)17-5-8-18-6-1-2-7-18/h1-2,6-7,16H,3-5,8-9H2,(H,17,19)
InChIKeyVMOQLAKVUHWXIU-UHFFFAOYSA-N
XLogP1.15
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide 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 N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106390957) is N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCn1cccc1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VMOQLAKVUHWXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11(3-4-16-9-11)10(19)17-5-8-18-6-1-2-7-18/h1-2,6-7,16H,3-5,8-9H2,(H,17,19).
What are the key properties of N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106390957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).