1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide

C19H18F2N4O2 — CID 16654361

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1
InChIInChI=1S/C19H18F2N4O2/c1-11-8-12(2)10-14(9-11)22-18(26)17-13(3)25(24-23-17)15-4-6-16(7-5-15)27-19(20)21/h4-10,19H,1-3H3,(H,22,26)
InChIKeyOZUXJOGQQONLLJ-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.05
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16654361) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16654361
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1
InChIInChI=1S/C19H18F2N4O2/c1-11-8-12(2)10-14(9-11)22-18(26)17-13(3)25(24-23-17)15-4-6-16(7-5-15)27-19(20)21/h4-10,19H,1-3H3,(H,22,26)
InChIKeyOZUXJOGQQONLLJ-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-(3,5-difluorophenyl)-5-methyltriazole-4-carboxamide
CID 16654326
1-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 16654311
1-[4-(difluoromethoxy)phenyl]-N-(3-hydroxyphenyl)-5-methyltriazole-4-carboxamide
CID 91885855
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[2-(methylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119503210
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[3-(methylamino)propyl]triazole-4-carboxamide;hydrochloride
CID 119433022
N-benzyl-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 16654263
N-(1-amino-2-methylpropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 119524142
N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516262
N-(4-acetamido-2-chlorophenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 86902978
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 86967190
cis-(1S,3R)-3-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 16654361) is 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1cc(C)cc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is OZUXJOGQQONLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-11-8-12(2)10-14(9-11)22-18(26)17-13(3)25(24-23-17)15-4-6-16(7-5-15)27-19(20)21/h4-10,19H,1-3H3,(H,22,26).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16654361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).