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

C15H19N5O — CID 79378129

IUPAC2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H19N5O/c1-10-13(6-7-16-10)15(21)18-12-5-3-4-11(8-12)14-19-17-9-20(14)2/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,18,21)
InChIKeyCIXJKSGNXBWFKM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.42
Rot. Bonds3

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

2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 79378129) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID79378129
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H19N5O/c1-10-13(6-7-16-10)15(21)18-12-5-3-4-11(8-12)14-19-17-9-20(14)2/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,18,21)
InChIKeyCIXJKSGNXBWFKM-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

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
CID 120925374
9-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985667
2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79388429
3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777793
N-[(2R)-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95146686
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 79378129) is 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CIXJKSGNXBWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-13(6-7-16-10)15(21)18-12-5-3-4-11(8-12)14-19-17-9-20(14)2/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-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 2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79378129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).