(2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide

C16H19N5O2 — CID 118771500

IUPAC(2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)nn1C
InChIInChI=1S/C16H19N5O2/c1-10-18-15(19-20(10)2)11-5-3-6-12(9-11)16(23)21-8-4-7-13(21)14(17)22/h3,5-6,9,13H,4,7-8H2,1-2H3,(H2,17,22)/t13-/m0/s1
InChIKeyTUPKQVSKXQLPDG-ZDUSSCGKSA-N
MW313.36 g/mol
LogP0.88
Rot. Bonds3

About (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide

(2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 118771500) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID118771500
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)nn1C
InChIInChI=1S/C16H19N5O2/c1-10-18-15(19-20(10)2)11-5-3-6-12(9-11)16(23)21-8-4-7-13(21)14(17)22/h3,5-6,9,13H,4,7-8H2,1-2H3,(H2,17,22)/t13-/m0/s1
InChIKeyTUPKQVSKXQLPDG-ZDUSSCGKSA-N
XLogP0.88
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-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-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-[(3S)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 125167211
[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 118764654
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 103765202
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993
1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 113378308
1-(1H-indole-5-carbonyl)pyrrolidine-2-carboxamide
CID 63723246
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
1-[3-(3-aminoprop-1-ynyl)benzoyl]pyrrolidine-2-carboxamide
CID 60822366
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide (CID 118771500) is (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide is Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)nn1C.
What is the InChIKey of (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is TUPKQVSKXQLPDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-18-15(19-20(10)2)11-5-3-6-12(9-11)16(23)21-8-4-7-13(21)14(17)22/h3,5-6,9,13H,4,7-8H2,1-2H3,(H2,17,22)/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide?
(2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118771500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).