1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide

C15H16N6O2 — CID 156585216

IUPAC1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2Cn2cccn2)[nH]c1=O
InChIInChI=1S/C15H16N6O2/c1-20-15(23)18-13(19-20)14(22)16-9-11-5-2-3-6-12(11)10-21-8-4-7-17-21/h2-8H,9-10H2,1H3,(H,16,22)(H,18,19,23)
InChIKeyPOQNFCHSSGDZIU-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.28
Rot. Bonds5

About 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide

1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide (PubChem CID 156585216) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
PubChem CID156585216
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2Cn2cccn2)[nH]c1=O
InChIInChI=1S/C15H16N6O2/c1-20-15(23)18-13(19-20)14(22)16-9-11-5-2-3-6-12(11)10-21-8-4-7-17-21/h2-8H,9-10H2,1H3,(H,16,22)(H,18,19,23)
InChIKeyPOQNFCHSSGDZIU-UHFFFAOYSA-N
XLogP0.28
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849749
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24612715
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
2-(2-methyl-1H-indol-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31986763
4-(2-oxoimidazolidin-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 46524589
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
2-(2-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419267
6-bromo-4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
CID 99807558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide (CID 156585216) is 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2Cn2cccn2)[nH]c1=O.
What is the InChIKey of 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is POQNFCHSSGDZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-20-15(23)18-13(19-20)14(22)16-9-11-5-2-3-6-12(11)10-21-8-4-7-17-21/h2-8H,9-10H2,1H3,(H,16,22)(H,18,19,23).
What are the key properties of 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide?
1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 156585216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).