1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide

C19H18F2N4O3 — CID 16654337

IUPAC1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N4O3/c1-3-16-17(18(26)22-12-5-4-6-15(11-12)27-2)23-24-25(16)13-7-9-14(10-8-13)28-19(20)21/h4-11,19H,3H2,1-2H3,(H,22,26)
InChIKeyYESLRBZVFSOFQK-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.69
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide (PubChem CID 16654337) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
PubChem CID16654337
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N4O3/c1-3-16-17(18(26)22-12-5-4-6-15(11-12)27-2)23-24-25(16)13-7-9-14(10-8-13)28-19(20)21/h4-11,19H,3H2,1-2H3,(H,22,26)
InChIKeyYESLRBZVFSOFQK-UHFFFAOYSA-N
XLogP3.69
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide 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

1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16654274
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(2-fluorophenyl)triazole-4-carboxamide
CID 71758819
1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
CID 16654323
1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 43328693
1-[4-(difluoromethoxy)phenyl]-N-(3-hydroxyphenyl)-5-methyltriazole-4-carboxamide
CID 91885855
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide (CID 16654337) is 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is YESLRBZVFSOFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-3-16-17(18(26)22-12-5-4-6-15(11-12)27-2)23-24-25(16)13-7-9-14(10-8-13)28-19(20)21/h4-11,19H,3H2,1-2H3,(H,22,26).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16654337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).