N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

C19H19FN4O — CID 16648950

IUPACN-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19FN4O/c1-12(2)14-7-9-17(10-8-14)24-13(3)18(22-23-24)19(25)21-16-6-4-5-15(20)11-16/h4-12H,1-3H3,(H,21,25)
InChIKeyWGSHFCZVLSQZQG-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.09
Rot. Bonds4

About N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 16648950) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID16648950
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19FN4O/c1-12(2)14-7-9-17(10-8-14)24-13(3)18(22-23-24)19(25)21-16-6-4-5-15(20)11-16/h4-12H,1-3H3,(H,21,25)
InChIKeyWGSHFCZVLSQZQG-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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (CID 16648950) is N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is WGSHFCZVLSQZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12(2)14-7-9-17(10-8-14)24-13(3)18(22-23-24)19(25)21-16-6-4-5-15(20)11-16/h4-12H,1-3H3,(H,21,25).
What are the key properties of N-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
N-(3-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-(3-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16648950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).