N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

C20H21F3N4O — CID 25446260

IUPACN-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESC#CCN(C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)C1CCCCC1
InChIInChI=1S/C20H21F3N4O/c1-2-12-27(16-9-4-3-5-10-16)19(28)18-14-26(25-24-18)13-15-8-6-7-11-17(15)20(21,22)23/h1,6-8,11,14,16H,3-5,9-10,12-13H2
InChIKeyIWIZYGDJJIKCLU-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.75
Rot. Bonds5

About N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 25446260) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID25446260
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC NameN-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESC#CCN(C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)C1CCCCC1
InChIInChI=1S/C20H21F3N4O/c1-2-12-27(16-9-4-3-5-10-16)19(28)18-14-26(25-24-18)13-15-8-6-7-11-17(15)20(21,22)23/h1,6-8,11,14,16H,3-5,9-10,12-13H2
InChIKeyIWIZYGDJJIKCLU-UHFFFAOYSA-N
XLogP3.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25457991
ethyl (3R)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324126
ethyl (3S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324127
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 56911700
[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42287586
N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 25294724
1-[(2-chlorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 42515324
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66191658
N-benzyl-N-cyclopropyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46547209
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
CID 112735587

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (CID 25446260) is N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is C#CCN(C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is IWIZYGDJJIKCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-2-12-27(16-9-4-3-5-10-16)19(28)18-14-26(25-24-18)13-15-8-6-7-11-17(15)20(21,22)23/h1,6-8,11,14,16H,3-5,9-10,12-13H2.
What are the key properties of N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 25446260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).