1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide

C15H17N5O2 — CID 17151724

IUPAC1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2CC(C(=O)Nn3cnnc3)CC2=O)c1
InChIInChI=1S/C15H17N5O2/c1-10-3-4-11(2)13(5-10)20-7-12(6-14(20)21)15(22)18-19-8-16-17-9-19/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,22)
InChIKeyNUUJTGRPVAVVOW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.02
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide

1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 17151724) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID17151724
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2CC(C(=O)Nn3cnnc3)CC2=O)c1
InChIInChI=1S/C15H17N5O2/c1-10-3-4-11(2)13(5-10)20-7-12(6-14(20)21)15(22)18-19-8-16-17-9-19/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,22)
InChIKeyNUUJTGRPVAVVOW-UHFFFAOYSA-N
XLogP1.02
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)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

1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 54792505
1-(3-chloro-4-methylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17080821
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160102
(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7220375
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102
(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004912
1-(2,5-dimethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 3160101
1-(2,5-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17151831
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
1-(2,5-dimethylphenyl)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 10216260

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide (CID 17151724) is 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide is Cc1ccc(C)c(N2CC(C(=O)Nn3cnnc3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is NUUJTGRPVAVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-3-4-11(2)13(5-10)20-7-12(6-14(20)21)15(22)18-19-8-16-17-9-19/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,22).
What are the key properties of 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide?
1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 17151724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).