2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide

C17H25N3O — CID 4671711

IUPAC2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-11-15(10-20(2)19-11)18-16(21)9-17-6-12-3-13(7-17)5-14(4-12)8-17/h10,12-14H,3-9H2,1-2H3,(H,18,21)
InChIKeyQNWLZNPDWFPMDP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.27
Rot. Bonds3

About 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 4671711) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID4671711
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-11-15(10-20(2)19-11)18-16(21)9-17-6-12-3-13(7-17)5-14(4-12)8-17/h10,12-14H,3-9H2,1-2H3,(H,18,21)
InChIKeyQNWLZNPDWFPMDP-UHFFFAOYSA-N
XLogP3.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 4671711) is 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is QNWLZNPDWFPMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-15(10-20(2)19-11)18-16(21)9-17-6-12-3-13(7-17)5-14(4-12)8-17/h10,12-14H,3-9H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 4671711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).