1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide

C19H19FN4O2 — CID 17014875

IUPAC1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cc(C)cc(C)c1
InChIInChI=1S/C19H19FN4O2/c1-12-8-13(2)10-16(9-12)24-17(11-26-3)18(22-23-24)19(25)21-15-6-4-14(20)5-7-15/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyKGYNAWGWABKWDC-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.42
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide

1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide (PubChem CID 17014875) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
PubChem CID17014875
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cc(C)cc(C)c1
InChIInChI=1S/C19H19FN4O2/c1-12-8-13(2)10-16(9-12)24-17(11-26-3)18(22-23-24)19(25)21-15-6-4-14(20)5-7-15/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyKGYNAWGWABKWDC-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
methyl 1-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 94068970
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516262
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide
CID 16651900
N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651864

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide (CID 17014875) is 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
The InChIKey is KGYNAWGWABKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-8-13(2)10-16(9-12)24-17(11-26-3)18(22-23-24)19(25)21-15-6-4-14(20)5-7-15/h4-10H,11H2,1-3H3,(H,21,25).
What are the key properties of 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide is sourced from PubChem (CID 17014875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).