(4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate

C19H18ClN3O2 — CID 50763975

IUPAC(4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate
SMILESCCc1ccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C19H18ClN3O2/c1-3-14-6-10-17(11-7-14)23-13(2)18(21-22-23)19(24)25-12-15-4-8-16(20)9-5-15/h4-11H,3,12H2,1-2H3
InChIKeyXWIIMPCATBTYGG-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.15
Rot. Bonds5

About (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate

(4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate (PubChem CID 50763975) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate
PubChem CID50763975
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate
SMILESCCc1ccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C19H18ClN3O2/c1-3-14-6-10-17(11-7-14)23-13(2)18(21-22-23)19(24)25-12-15-4-8-16(20)9-5-15/h4-11H,3,12H2,1-2H3
InChIKeyXWIIMPCATBTYGG-UHFFFAOYSA-N
XLogP4.15
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)methyl 1-(4-ethylphenyl)-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

methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 24766022
propyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 25195090
ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 44571395
benzyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 44571499
cyclohexyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 44571500
Ethyl 1-benzyl-5-(4-chlorophenyl)triazole-4-carboxylate
CID 118711695
methyl 1,5-bis(4-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 44571393
(2-fluorophenyl)methyl 1-(4-ethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
CID 27371843
(2-chlorophenyl)methyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
CID 27372734
(3-methylphenyl)methyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
CID 27372735
(4-chlorophenyl)methyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
CID 27372737
(2-methylphenyl)methyl 1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
CID 27372738

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate (CID 50763975) is (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate is CCc1ccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate?
The InChIKey is XWIIMPCATBTYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-3-14-6-10-17(11-7-14)23-13(2)18(21-22-23)19(24)25-12-15-4-8-16(20)9-5-15/h4-11H,3,12H2,1-2H3.
What are the key properties of (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate?
(4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate has a molecular weight of 355.83 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 1-(4-ethylphenyl)-5-methyltriazole-4-carboxylate is sourced from PubChem (CID 50763975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).