2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide

C17H25N3O — CID 79988841

IUPAC2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)Nc1ccn[nH]1)(C3)C2
InChIInChI=1S/C17H25N3O/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)8-14(21)19-13-3-4-18-20-13/h3-4,12H,5-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyRJRIAJVUXSHZOP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.73
Rot. Bonds3

About 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide

2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 79988841) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID79988841
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)Nc1ccn[nH]1)(C3)C2
InChIInChI=1S/C17H25N3O/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)8-14(21)19-13-3-4-18-20-13/h3-4,12H,5-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyRJRIAJVUXSHZOP-UHFFFAOYSA-N
XLogP3.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide (CID 79988841) is 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide is CC12CC3CC(C)(C1)CC(CC(=O)Nc1ccn[nH]1)(C3)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is RJRIAJVUXSHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)8-14(21)19-13-3-4-18-20-13/h3-4,12H,5-11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide?
2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 79988841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).