2-pyrazol-1-ylcyclohexan-1-ol

C9H14N2O — CID 15889072

IUPAC2-pyrazol-1-ylcyclohexan-1-ol
SMILESOC1CCCCC1n1cccn1
InChIInChI=1S/C9H14N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-9,12H,1-2,4-5H2
InChIKeyDZHXIEMTUWOOQK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.36
Rot. Bonds1

About 2-pyrazol-1-ylcyclohexan-1-ol

2-pyrazol-1-ylcyclohexan-1-ol (PubChem CID 15889072) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-pyrazol-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-pyrazol-1-ylcyclohexan-1-ol
PubChem CID15889072
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-pyrazol-1-ylcyclohexan-1-ol
SMILESOC1CCCCC1n1cccn1
InChIInChI=1S/C9H14N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-9,12H,1-2,4-5H2
InChIKeyDZHXIEMTUWOOQK-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylcyclohexan-1-ol?
The IUPAC name of 2-pyrazol-1-ylcyclohexan-1-ol (CID 15889072) is 2-pyrazol-1-ylcyclohexan-1-ol.
What is the SMILES notation for 2-pyrazol-1-ylcyclohexan-1-ol?
The canonical SMILES for 2-pyrazol-1-ylcyclohexan-1-ol is OC1CCCCC1n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylcyclohexan-1-ol?
The InChIKey is DZHXIEMTUWOOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-9,12H,1-2,4-5H2.
What are the key properties of 2-pyrazol-1-ylcyclohexan-1-ol?
2-pyrazol-1-ylcyclohexan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylcyclohexan-1-ol is sourced from PubChem (CID 15889072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).