3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

C15H19N5O — CID 63139378

IUPAC3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)C2(C)CCNC2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10-17-13(20-19-10)11-5-3-4-6-12(11)18-14(21)15(2)7-8-16-9-15/h3-6,16H,7-9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyZQJQLWHFMQCDKG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds3

About 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63139378) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63139378
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)C2(C)CCNC2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10-17-13(20-19-10)11-5-3-4-6-12(11)18-14(21)15(2)7-8-16-9-15/h3-6,16H,7-9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyZQJQLWHFMQCDKG-UHFFFAOYSA-N
XLogP1.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 63139378) is 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is Cc1nc(-c2ccccc2NC(=O)C2(C)CCNC2)n[nH]1.
What is the InChIKey of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZQJQLWHFMQCDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-17-13(20-19-10)11-5-3-4-6-12(11)18-14(21)15(2)7-8-16-9-15/h3-6,16H,7-9H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).