2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide

C18H22N6O — CID 30183644

IUPAC2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccnn3C(C)C)n2)c(C)c1
InChIInChI=1S/C18H22N6O/c1-11(2)23-16(8-9-19-23)20-18(25)17-14(5)21-24(22-17)15-7-6-12(3)10-13(15)4/h6-11H,1-5H3,(H,20,25)
InChIKeyBLEDHKBRQFGEJM-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.22
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide

2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide (PubChem CID 30183644) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
PubChem CID30183644
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccnn3C(C)C)n2)c(C)c1
InChIInChI=1S/C18H22N6O/c1-11(2)23-16(8-9-19-23)20-18(25)17-14(5)21-24(22-17)15-7-6-12(3)10-13(15)4/h6-11H,1-5H3,(H,20,25)
InChIKeyBLEDHKBRQFGEJM-UHFFFAOYSA-N
XLogP3.22
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8569599
2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 79777050
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 46806969
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412
2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
CID 27698207
2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810
N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46553835
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 42058107
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]-2-methylbenzoate
CID 43055005
2-(2,4-dimethylphenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]triazole-4-carboxamide
CID 43024663
4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112702320

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide (CID 30183644) is 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)Nc3ccnn3C(C)C)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
The InChIKey is BLEDHKBRQFGEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11(2)23-16(8-9-19-23)20-18(25)17-14(5)21-24(22-17)15-7-6-12(3)10-13(15)4/h6-11H,1-5H3,(H,20,25).
What are the key properties of 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide?
2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 30183644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).