2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

C19H29N3O — CID 46983207

IUPAC2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCC(CCn1cccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-14(3-6-22-5-2-4-20-22)21-18(23)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h2,4-5,14-17H,3,6-13H2,1H3,(H,21,23)
InChIKeyLVYPWBRXYKZAHB-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.38
Rot. Bonds6

About 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (PubChem CID 46983207) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
PubChem CID46983207
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCC(CCn1cccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-14(3-6-22-5-2-4-20-22)21-18(23)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h2,4-5,14-17H,3,6-13H2,1H3,(H,21,23)
InChIKeyLVYPWBRXYKZAHB-UHFFFAOYSA-N
XLogP3.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.38
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-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (CID 46983207) is 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is CC(CCn1cccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The InChIKey is LVYPWBRXYKZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(3-6-22-5-2-4-20-22)21-18(23)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h2,4-5,14-17H,3,6-13H2,1H3,(H,21,23).
What are the key properties of 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide has a molecular weight of 315.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 46983207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).