3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C17H18F3N5O — CID 121190728

IUPAC3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-3-1-2-4-14(13)21-16(26)24-8-7-12(9-24)25-10-15(22-23-25)11-5-6-11/h1-4,10-12H,5-9H2,(H,21,26)
InChIKeyLOCCRGAQNHYIQG-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.65
Rot. Bonds3

About 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 121190728) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID121190728
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-3-1-2-4-14(13)21-16(26)24-8-7-12(9-24)25-10-15(22-23-25)11-5-6-11/h1-4,10-12H,5-9H2,(H,21,26)
InChIKeyLOCCRGAQNHYIQG-UHFFFAOYSA-N
XLogP3.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-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

3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 129357356
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 124891823
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 121190728) is 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is LOCCRGAQNHYIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)13-3-1-2-4-14(13)21-16(26)24-8-7-12(9-24)25-10-15(22-23-25)11-5-6-11/h1-4,10-12H,5-9H2,(H,21,26).
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 121190728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).