1-adamantyl(pyrazol-1-yl)methanone

C14H18N2O — CID 2933839

IUPAC1-adamantyl(pyrazol-1-yl)methanone
SMILESO=C(n1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H18N2O/c17-13(16-3-1-2-15-16)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2
InChIKeyIZMRPCWQEDJDGT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.74
Rot. Bonds1

About 1-adamantyl(pyrazol-1-yl)methanone

1-adamantyl(pyrazol-1-yl)methanone (PubChem CID 2933839) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-adamantyl(pyrazol-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(pyrazol-1-yl)methanone
PubChem CID2933839
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-adamantyl(pyrazol-1-yl)methanone
SMILESO=C(n1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H18N2O/c17-13(16-3-1-2-15-16)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2
InChIKeyIZMRPCWQEDJDGT-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(pyrazol-1-yl)methanone?
The IUPAC name of 1-adamantyl(pyrazol-1-yl)methanone (CID 2933839) is 1-adamantyl(pyrazol-1-yl)methanone.
What is the SMILES notation for 1-adamantyl(pyrazol-1-yl)methanone?
The canonical SMILES for 1-adamantyl(pyrazol-1-yl)methanone is O=C(n1cccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(pyrazol-1-yl)methanone?
The InChIKey is IZMRPCWQEDJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-13(16-3-1-2-15-16)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2.
What are the key properties of 1-adamantyl(pyrazol-1-yl)methanone?
1-adamantyl(pyrazol-1-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(pyrazol-1-yl)methanone is sourced from PubChem (CID 2933839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).