N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

C20H22N4O2 — CID 7245475

IUPACN-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H22N4O2/c1-13(2)15-9-11-16(12-10-15)24-14(3)19(22-23-24)20(25)21-17-7-5-6-8-18(17)26-4/h5-13H,1-4H3,(H,21,25)
InChIKeyWTNPUMZYTYWVEO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.96
Rot. Bonds5

About N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 7245475) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID7245475
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H22N4O2/c1-13(2)15-9-11-16(12-10-15)24-14(3)19(22-23-24)20(25)21-17-7-5-6-8-18(17)26-4/h5-13H,1-4H3,(H,21,25)
InChIKeyWTNPUMZYTYWVEO-UHFFFAOYSA-N
XLogP3.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112831271
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide
CID 102341170
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323531
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652084
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858203

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (CID 7245475) is N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is COc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is WTNPUMZYTYWVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)15-9-11-16(12-10-15)24-14(3)19(22-23-24)20(25)21-17-7-5-6-8-18(17)26-4/h5-13H,1-4H3,(H,21,25).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 7245475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).