(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate

C19H19N3O3 — CID 42585439

IUPAC(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
SMILESCOc1ccc(-n2nnc(C(=O)OCc3ccccc3C)c2C)cc1
InChIInChI=1S/C19H19N3O3/c1-13-6-4-5-7-15(13)12-25-19(23)18-14(2)22(21-20-18)16-8-10-17(24-3)11-9-16/h4-11H,12H2,1-3H3
InChIKeyUZLHZFVGVYIKPJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.25
Rot. Bonds5

About (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate

(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate (PubChem CID 42585439) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
PubChem CID42585439
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
SMILESCOc1ccc(-n2nnc(C(=O)OCc3ccccc3C)c2C)cc1
InChIInChI=1S/C19H19N3O3/c1-13-6-4-5-7-15(13)12-25-19(23)18-14(2)22(21-20-18)16-8-10-17(24-3)11-9-16/h4-11H,12H2,1-3H3
InChIKeyUZLHZFVGVYIKPJ-UHFFFAOYSA-N
XLogP3.25
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
(3-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 42585435
(2-chlorophenyl)methyl 1-(4-bromophenyl)-5-methyltriazole-4-carboxylate
CID 42585419
[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 5-methyl-1-(4-methylphenyl)triazole-4-carboxylate
CID 42585548
[3-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 50763843
(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27375313
[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(4-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 42585707
(2-fluorophenyl)methyl 1-(2-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27374997
(E)-1-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-3-phenylprop-2-en-1-one
CID 46198197
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16649276
(2,4-dimethylphenyl)methyl 1-(3-chloro-4-methylphenyl)-5-methyltriazole-4-carboxylate
CID 50742885

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate?
The IUPAC name of (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate (CID 42585439) is (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate.
What is the SMILES notation for (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate?
The canonical SMILES for (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate is COc1ccc(-n2nnc(C(=O)OCc3ccccc3C)c2C)cc1.
What is the InChIKey of (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate?
The InChIKey is UZLHZFVGVYIKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-6-4-5-7-15(13)12-25-19(23)18-14(2)22(21-20-18)16-8-10-17(24-3)11-9-16/h4-11H,12H2,1-3H3.
What are the key properties of (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate?
(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate is sourced from PubChem (CID 42585439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).