1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide

C15H16N6O — CID 86830436

IUPAC1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3cnn(C)c3)nn2)cc1
InChIInChI=1S/C15H16N6O/c1-11-3-5-13(6-4-11)21-10-14(18-19-21)15(22)16-7-12-8-17-20(2)9-12/h3-6,8-10H,7H2,1-2H3,(H,16,22)
InChIKeyLJMBUMQAERBIQO-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.24
Rot. Bonds4

About 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide

1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 86830436) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID86830436
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3cnn(C)c3)nn2)cc1
InChIInChI=1S/C15H16N6O/c1-11-3-5-13(6-4-11)21-10-14(18-19-21)15(22)16-7-12-8-17-20(2)9-12/h3-6,8-10H,7H2,1-2H3,(H,16,22)
InChIKeyLJMBUMQAERBIQO-UHFFFAOYSA-N
XLogP1.24
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
1-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445625
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide (CID 86830436) is 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCc3cnn(C)c3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is LJMBUMQAERBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11-3-5-13(6-4-11)21-10-14(18-19-21)15(22)16-7-12-8-17-20(2)9-12/h3-6,8-10H,7H2,1-2H3,(H,16,22).
What are the key properties of 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide?
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 86830436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).