N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide

C15H19FN4O2 — CID 111596473

IUPACN-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C15H19FN4O2/c1-4-19(10-15(2,3)22)14(21)13-9-20(18-17-13)12-7-5-11(16)6-8-12/h5-9,22H,4,10H2,1-3H3
InChIKeyONLVCANEYWULNE-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide

N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide (PubChem CID 111596473) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
PubChem CID111596473
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C15H19FN4O2/c1-4-19(10-15(2,3)22)14(21)13-9-20(18-17-13)12-7-5-11(16)6-8-12/h5-9,22H,4,10H2,1-3H3
InChIKeyONLVCANEYWULNE-UHFFFAOYSA-N
XLogP1.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
CID 111480696
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 56823298
N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide
CID 30850404
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide
CID 103803952
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
CID 111596241
N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(4-fluorophenyl)-N-methyltriazole-4-carboxamide
CID 124734264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide (CID 111596473) is N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide?
The InChIKey is ONLVCANEYWULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-4-19(10-15(2,3)22)14(21)13-9-20(18-17-13)12-7-5-11(16)6-8-12/h5-9,22H,4,10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide?
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 111596473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).