3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C17H18F3N5O — CID 91914756

IUPAC3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)12-3-5-13(6-4-12)22-16(26)24-8-7-14(9-24)25-10-21-23-15(25)11-1-2-11/h3-6,10-11,14H,1-2,7-9H2,(H,22,26)
InChIKeyQAGYAFNIKGDDPM-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.65
Rot. Bonds3

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

3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 91914756) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID91914756
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)12-3-5-13(6-4-12)22-16(26)24-8-7-14(9-24)25-10-21-23-15(25)11-1-2-11/h3-6,10-11,14H,1-2,7-9H2,(H,22,26)
InChIKeyQAGYAFNIKGDDPM-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

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Related Compounds

(R)-2-(4-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl)-N-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxamide
CID 25252974
(R)-2-(1-(4-chlorobenzyl)-1H-1,2,4-triazol-5-yl)-N-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxamide
CID 25254218
(R)-2-(1-(4-chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-yl)-N-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxamide
CID 49865901
(R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxamide
CID 49865951
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CID 44455069
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487902
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(2-methylcyclohexyl)urea
CID 156015067
N-(3-Chloro-2-fluorophenyl)-3-(3-cyclopropyl-4H-1,2,4-triazol-4-YL)pyrrolidine-1-carboxamide
CID 91905136
6-(5-Azaspiro[2.4]heptan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079213
1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 51079714
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 51084734
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 52380253

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 91914756) is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(n2cnnc2C2CC2)C1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QAGYAFNIKGDDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)12-3-5-13(6-4-12)22-16(26)24-8-7-14(9-24)25-10-21-23-15(25)11-1-2-11/h3-6,10-11,14H,1-2,7-9H2,(H,22,26).
What are the key properties of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(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-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91914756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).