N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

C19H20N4O2 — CID 16648407

IUPACN-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-4-14-8-10-15(11-9-14)20-19(24)18-13(2)23(22-21-18)16-6-5-7-17(12-16)25-3/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyBXDFZEUPQGXVKN-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.40
Rot. Bonds5

About N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16648407) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16648407
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-4-14-8-10-15(11-9-14)20-19(24)18-13(2)23(22-21-18)16-6-5-7-17(12-16)25-3/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyBXDFZEUPQGXVKN-UHFFFAOYSA-N
XLogP3.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-[2-(4-bromoanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55878500
N-(4-cyclopentylsulfonylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55669945
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 38034009
tert-butyl N-[2-methoxy-5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl]carbamate
CID 55654521
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 16648407) is N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCc1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is BXDFZEUPQGXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-14-8-10-15(11-9-14)20-19(24)18-13(2)23(22-21-18)16-6-5-7-17(12-16)25-3/h5-12H,4H2,1-3H3,(H,20,24).
What are the key properties of N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16648407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).