2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide

C19H29N3O — CID 4649296

IUPAC2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C19H29N3O/c1-4-22-13(3)18(12(2)21-22)20-17(23)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyLJNVAMCVDXOACC-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.06
Rot. Bonds4

About 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide

2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 4649296) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
PubChem CID4649296
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C19H29N3O/c1-4-22-13(3)18(12(2)21-22)20-17(23)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyLJNVAMCVDXOACC-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.06
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-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (CID 4649296) is 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is CCn1nc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is LJNVAMCVDXOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-22-13(3)18(12(2)21-22)20-17(23)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
2-(1-adamantyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 315.46 g/mol, XLogP of 4.06, 4 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-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 4649296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).