N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

C19H19FN4O — CID 9151696

IUPACN-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19FN4O/c1-12(2)14-4-10-17(11-5-14)24-13(3)18(22-23-24)19(25)21-16-8-6-15(20)7-9-16/h4-12H,1-3H3,(H,21,25)
InChIKeyHVZKKRUCCJEUOJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.09
Rot. Bonds4

About N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 9151696) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID9151696
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19FN4O/c1-12(2)14-4-10-17(11-5-14)24-13(3)18(22-23-24)19(25)21-16-8-6-15(20)7-9-16/h4-12H,1-3H3,(H,21,25)
InChIKeyHVZKKRUCCJEUOJ-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
1-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 16654311
1-(4-fluorophenyl)-5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]triazole-4-carboxamide
CID 55653087
N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7245475
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 55599105
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (CID 9151696) is N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is HVZKKRUCCJEUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12(2)14-4-10-17(11-5-14)24-13(3)18(22-23-24)19(25)21-16-8-6-15(20)7-9-16/h4-12H,1-3H3,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 9151696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).