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

C11H15F3N4O — CID 63710927

IUPACN-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCn1ccnc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(1-2-15-7-10)9(19)17-4-6-18-5-3-16-8-18/h3,5,8,15H,1-2,4,6-7H2,(H,17,19)
InChIKeyRPCUFNKQJLTOEV-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.54
Rot. Bonds4

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

N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710927) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710927
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCn1ccnc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(1-2-15-7-10)9(19)17-4-6-18-5-3-16-8-18/h3,5,8,15H,1-2,4,6-7H2,(H,17,19)
InChIKeyRPCUFNKQJLTOEV-UHFFFAOYSA-N
XLogP0.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-imidazol-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

Related Compounds

N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106105031
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
CID 60717326
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80589712
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589798
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
3-imidazol-1-yl-N-(3-methylpyrrolidin-3-yl)propanamide
CID 107422539
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106390785
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710927) is N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCn1ccnc1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RPCUFNKQJLTOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10(1-2-15-7-10)9(19)17-4-6-18-5-3-16-8-18/h3,5,8,15H,1-2,4,6-7H2,(H,17,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).