5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide

C20H24N6O — CID 95784960

IUPAC5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)c2C)c1
InChIInChI=1S/C20H24N6O/c1-14-7-5-8-16(13-14)26-15(2)19(23-24-26)20(27)22-17-9-3-4-10-18(17)25-12-6-11-21-25/h5-8,11-13,17-18H,3-4,9-10H2,1-2H3,(H,22,27)/t17-,18-/m1/s1
InChIKeyLKOKXBDGLDGSHD-QZTJIDSGSA-N
MW364.45 g/mol
LogP2.99
Rot. Bonds4

About 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide (PubChem CID 95784960) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide
PubChem CID95784960
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)c2C)c1
InChIInChI=1S/C20H24N6O/c1-14-7-5-8-16(13-14)26-15(2)19(23-24-26)20(27)22-17-9-3-4-10-18(17)25-12-6-11-21-25/h5-8,11-13,17-18H,3-4,9-10H2,1-2H3,(H,22,27)/t17-,18-/m1/s1
InChIKeyLKOKXBDGLDGSHD-QZTJIDSGSA-N
XLogP2.99
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 55857322
2-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120546087
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120539004
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507902
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868
5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide
CID 55912526
5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 55912886
(2R)-3-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119368322
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119490412

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide (CID 95784960) is 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide?
The InChIKey is LKOKXBDGLDGSHD-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-7-5-8-16(13-14)26-15(2)19(23-24-26)20(27)22-17-9-3-4-10-18(17)25-12-6-11-21-25/h5-8,11-13,17-18H,3-4,9-10H2,1-2H3,(H,22,27)/t17-,18-/m1/s1.
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 95784960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).