2-pyrazol-1-ylcyclohexan-1-one

C9H12N2O — CID 15889069

IUPAC2-pyrazol-1-ylcyclohexan-1-one
SMILESO=C1CCCCC1n1cccn1
InChIInChI=1S/C9H12N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-8H,1-2,4-5H2
InChIKeyXOXHZVGTMVFYJP-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.57
Rot. Bonds1

About 2-pyrazol-1-ylcyclohexan-1-one

2-pyrazol-1-ylcyclohexan-1-one (PubChem CID 15889069) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-pyrazol-1-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-pyrazol-1-ylcyclohexan-1-one
PubChem CID15889069
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-pyrazol-1-ylcyclohexan-1-one
SMILESO=C1CCCCC1n1cccn1
InChIInChI=1S/C9H12N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-8H,1-2,4-5H2
InChIKeyXOXHZVGTMVFYJP-UHFFFAOYSA-N
XLogP1.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylcyclohexan-1-one?
The IUPAC name of 2-pyrazol-1-ylcyclohexan-1-one (CID 15889069) is 2-pyrazol-1-ylcyclohexan-1-one.
What is the SMILES notation for 2-pyrazol-1-ylcyclohexan-1-one?
The canonical SMILES for 2-pyrazol-1-ylcyclohexan-1-one is O=C1CCCCC1n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylcyclohexan-1-one?
The InChIKey is XOXHZVGTMVFYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-pyrazol-1-ylcyclohexan-1-one?
2-pyrazol-1-ylcyclohexan-1-one has a molecular weight of 164.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylcyclohexan-1-one is sourced from PubChem (CID 15889069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).