1-adamantyl-(4-methylpyrazol-1-yl)methanone

C15H20N2O — CID 4768855

IUPAC1-adamantyl-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C15H20N2O/c1-10-8-16-17(9-10)14(18)15-5-11-2-12(6-15)4-13(3-11)7-15/h8-9,11-13H,2-7H2,1H3
InChIKeyJTYMOAFGABYVJS-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.05
Rot. Bonds1

About 1-adamantyl-(4-methylpyrazol-1-yl)methanone

1-adamantyl-(4-methylpyrazol-1-yl)methanone (PubChem CID 4768855) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-adamantyl-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-methylpyrazol-1-yl)methanone
PubChem CID4768855
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-adamantyl-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C15H20N2O/c1-10-8-16-17(9-10)14(18)15-5-11-2-12(6-15)4-13(3-11)7-15/h8-9,11-13H,2-7H2,1H3
InChIKeyJTYMOAFGABYVJS-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-adamantanecarboxamide
CID 3556765
2-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4335808
1-(1-adamantylacetyl)-1H-pyrazole
CID 2970441
N-(1-Adamantylmethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 4769216
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 45804609
(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one
CID 134967919
2-(1-Adamantyl)-N'~1~-[(1-ethyl-5-fluoro-1H-pyrazol-4-YL)methylene]acetohydrazide
CID 119056000
2-(1-adamantyl)-N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]acetamide
CID 124854415
2-(1-adamantyl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]acetamide
CID 171131064
1-Adamantyl(pyrazol-1-yl)methanone
CID 2933839
2-(1-adamantyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4128801
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide
CID 4373315

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-methylpyrazol-1-yl)methanone (CID 4768855) is 1-adamantyl-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-adamantyl-(4-methylpyrazol-1-yl)methanone?
The InChIKey is JTYMOAFGABYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-16-17(9-10)14(18)15-5-11-2-12(6-15)4-13(3-11)7-15/h8-9,11-13H,2-7H2,1H3.
What are the key properties of 1-adamantyl-(4-methylpyrazol-1-yl)methanone?
1-adamantyl-(4-methylpyrazol-1-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 4768855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).