1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide

C16H21FN4O2 — CID 111480696

IUPAC1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H21FN4O2/c1-11(22)8-16(2,3)10-18-15(23)14-9-21(20-19-14)13-6-4-12(17)5-7-13/h4-7,9,11,22H,8,10H2,1-3H3,(H,18,23)
InChIKeyMKRKPAFRKVSXLD-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.93
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide

1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide (PubChem CID 111480696) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
PubChem CID111480696
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H21FN4O2/c1-11(22)8-16(2,3)10-18-15(23)14-9-21(20-19-14)13-6-4-12(17)5-7-13/h4-7,9,11,22H,8,10H2,1-3H3,(H,18,23)
InChIKeyMKRKPAFRKVSXLD-UHFFFAOYSA-N
XLogP1.93
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 95907391
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
CID 111596473
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide (CID 111480696) is 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide is CC(O)CC(C)(C)CNC(=O)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide?
The InChIKey is MKRKPAFRKVSXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-11(22)8-16(2,3)10-18-15(23)14-9-21(20-19-14)13-6-4-12(17)5-7-13/h4-7,9,11,22H,8,10H2,1-3H3,(H,18,23).
What are the key properties of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide?
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide is sourced from PubChem (CID 111480696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).