1-(1H-pyrazol-5-yl)cyclohexan-1-ol

C9H14N2O — CID 4588584

IUPAC1-(1H-pyrazol-5-yl)cyclohexan-1-ol
SMILESOC1(c2ccn[nH]2)CCCCC1
InChIInChI=1S/C9H14N2O/c12-9(5-2-1-3-6-9)8-4-7-10-11-8/h4,7,12H,1-3,5-6H2,(H,10,11)
InChIKeyWKLQFYRSUNPPQK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.56
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)cyclohexan-1-ol

1-(1H-pyrazol-5-yl)cyclohexan-1-ol (PubChem CID 4588584) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)cyclohexan-1-ol
PubChem CID4588584
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(1H-pyrazol-5-yl)cyclohexan-1-ol
SMILESOC1(c2ccn[nH]2)CCCCC1
InChIInChI=1S/C9H14N2O/c12-9(5-2-1-3-6-9)8-4-7-10-11-8/h4,7,12H,1-3,5-6H2,(H,10,11)
InChIKeyWKLQFYRSUNPPQK-UHFFFAOYSA-N
XLogP1.56
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1H-pyrazol-5-yl)cyclohexan-1-ol (CID 4588584) is 1-(1H-pyrazol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1H-pyrazol-5-yl)cyclohexan-1-ol is OC1(c2ccn[nH]2)CCCCC1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)cyclohexan-1-ol?
The InChIKey is WKLQFYRSUNPPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9(5-2-1-3-6-9)8-4-7-10-11-8/h4,7,12H,1-3,5-6H2,(H,10,11).
What are the key properties of 1-(1H-pyrazol-5-yl)cyclohexan-1-ol?
1-(1H-pyrazol-5-yl)cyclohexan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 4588584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).