3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

C17H25N3O — CID 4776255

IUPAC3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)n1
InChIInChI=1S/C17H25N3O/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(21)18-13-4-5-20(3)19-13/h4-5,12H,6-11H2,1-3H3,(H,18,19,21)
InChIKeyXOOXYENXVHTZBS-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.36
Rot. Bonds2

About 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (PubChem CID 4776255) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
PubChem CID4776255
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)n1
InChIInChI=1S/C17H25N3O/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(21)18-13-4-5-20(3)19-13/h4-5,12H,6-11H2,1-3H3,(H,18,19,21)
InChIKeyXOOXYENXVHTZBS-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (CID 4776255) is 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is Cn1ccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)n1.
What is the InChIKey of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The InChIKey is XOOXYENXVHTZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(21)18-13-4-5-20(3)19-13/h4-5,12H,6-11H2,1-3H3,(H,18,19,21).
What are the key properties of 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 4776255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).