1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide

C21H26N6O — CID 56706408

IUPAC1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C21H26N6O/c28-21(20-16-27(25-24-20)14-17-8-3-1-4-9-17)23-19(15-26-13-7-12-22-26)18-10-5-2-6-11-18/h2,5-7,10-13,16-17,19H,1,3-4,8-9,14-15H2,(H,23,28)
InChIKeyUETYGDLBEAIPRD-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.23
Rot. Bonds7

About 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide

1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide (PubChem CID 56706408) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide
PubChem CID56706408
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C21H26N6O/c28-21(20-16-27(25-24-20)14-17-8-3-1-4-9-17)23-19(15-26-13-7-12-22-26)18-10-5-2-6-11-18/h2,5-7,10-13,16-17,19H,1,3-4,8-9,14-15H2,(H,23,28)
InChIKeyUETYGDLBEAIPRD-UHFFFAOYSA-N
XLogP3.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 98874250
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N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
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3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 70770272
1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45218907
3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one
CID 45246636
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
CID 86917770
3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99947261
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide (CID 56706408) is 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide is O=C(NC(Cn1cccn1)c1ccccc1)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide?
The InChIKey is UETYGDLBEAIPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c28-21(20-16-27(25-24-20)14-17-8-3-1-4-9-17)23-19(15-26-13-7-12-22-26)18-10-5-2-6-11-18/h2,5-7,10-13,16-17,19H,1,3-4,8-9,14-15H2,(H,23,28).
What are the key properties of 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide?
1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 56706408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).