1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C18H15F3N4O2 — CID 6484728

IUPAC1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C18H15F3N4O2/c1-11-16(23-24-25(11)14-9-5-6-10-15(14)27-2)17(26)22-13-8-4-3-7-12(13)18(19,20)21/h3-10H,1-2H3,(H,22,26)
InChIKeyTUSQVVGNFABFMD-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 6484728) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID6484728
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C18H15F3N4O2/c1-11-16(23-24-25(11)14-9-5-6-10-15(14)27-2)17(26)22-13-8-4-3-7-12(13)18(19,20)21/h3-10H,1-2H3,(H,22,26)
InChIKeyTUSQVVGNFABFMD-UHFFFAOYSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11547151
1-benzyl-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11576528
1-[(4-methoxyphenyl)methyl]-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11613105
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11663604
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11670421
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11720119
N-(2,6-dimethylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649224
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649239
1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide
CID 1265414
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 118513288
(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 171352643
[1-(4-fluorophenyl)-5-methyl(1,2,3-triazol-4-yl)]-N-(2-methoxyphenyl)carboxami de
CID 7223511

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 6484728) is 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)Nc2ccccc2C(F)(F)F)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is TUSQVVGNFABFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-11-16(23-24-25(11)14-9-5-6-10-15(14)27-2)17(26)22-13-8-4-3-7-12(13)18(19,20)21/h3-10H,1-2H3,(H,22,26).
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 6484728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).