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

C15H19N5O — CID 102777793

IUPAC3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C15H19N5O/c1-10-7-8-16-13(10)15(21)18-12-5-3-11(4-6-12)14-19-17-9-20(14)2/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,18,21)
InChIKeyXZQLKEABRRBXMN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.42
Rot. Bonds3

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

3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 102777793) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID102777793
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C15H19N5O/c1-10-7-8-16-13(10)15(21)18-12-5-3-11(4-6-12)14-19-17-9-20(14)2/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,18,21)
InChIKeyXZQLKEABRRBXMN-UHFFFAOYSA-N
XLogP1.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 79378129
(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
CID 120925374
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912636
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273398
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 102777793) is 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccc(-c2nncn2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XZQLKEABRRBXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-7-8-16-13(10)15(21)18-12-5-3-11(4-6-12)14-19-17-9-20(14)2/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102777793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).