N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide

C20H24N6O — CID 155521493

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nncc2-c2ccccc2)n(C2CCCCC2)n1
InChIInChI=1S/C20H24N6O/c1-15-12-19(26(23-15)17-10-6-3-7-11-17)22-20(27)14-25-18(13-21-24-25)16-8-4-2-5-9-16/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,22,27)
InChIKeyOMLKEGKBIMPMII-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.59
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide (PubChem CID 155521493) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide
PubChem CID155521493
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nncc2-c2ccccc2)n(C2CCCCC2)n1
InChIInChI=1S/C20H24N6O/c1-15-12-19(26(23-15)17-10-6-3-7-11-17)22-20(27)14-25-18(13-21-24-25)16-8-4-2-5-9-16/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,22,27)
InChIKeyOMLKEGKBIMPMII-UHFFFAOYSA-N
XLogP3.59
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide (CID 155521493) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2nncc2-c2ccccc2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide?
The InChIKey is OMLKEGKBIMPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-12-19(26(23-15)17-10-6-3-7-11-17)22-20(27)14-25-18(13-21-24-25)16-8-4-2-5-9-16/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,22,27).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 155521493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).