2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

C18H27N3O — CID 3512283

IUPAC2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cnn1C
InChIInChI=1S/C18H27N3O/c1-12-16(11-20-21(12)2)10-19-17(22)9-18-6-13-3-14(7-18)5-15(4-13)8-18/h11,13-15H,3-10H2,1-2H3,(H,19,22)
InChIKeyOQUHERVIBONOEE-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.95
Rot. Bonds4

About 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 3512283) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID3512283
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cnn1C
InChIInChI=1S/C18H27N3O/c1-12-16(11-20-21(12)2)10-19-17(22)9-18-6-13-3-14(7-18)5-15(4-13)8-18/h11,13-15H,3-10H2,1-2H3,(H,19,22)
InChIKeyOQUHERVIBONOEE-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.95
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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 3512283) is 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cnn1C.
What is the InChIKey of 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is OQUHERVIBONOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-12-16(11-20-21(12)2)10-19-17(22)9-18-6-13-3-14(7-18)5-15(4-13)8-18/h11,13-15H,3-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 2.95, 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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 3512283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).