2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide

C17H25N3O — CID 115692303

IUPAC2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
SMILESCCc1cn[nH]c1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-2-14-10-18-20-16(14)19-15(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,2-9H2,1H3,(H2,18,19,20,21)
InChIKeyYAFMYFORQGHTSV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.52
Rot. Bonds4

About 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide

2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide (PubChem CID 115692303) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
PubChem CID115692303
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
SMILESCCc1cn[nH]c1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-2-14-10-18-20-16(14)19-15(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,2-9H2,1H3,(H2,18,19,20,21)
InChIKeyYAFMYFORQGHTSV-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide (CID 115692303) is 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide is CCc1cn[nH]c1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is YAFMYFORQGHTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-14-10-18-20-16(14)19-15(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,2-9H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 115692303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).