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

C10H16N2O — CID 657539

IUPAC1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol
SMILESOC1(Cc2ccn[nH]2)CCCCC1
InChIInChI=1S/C10H16N2O/c13-10(5-2-1-3-6-10)8-9-4-7-11-12-9/h4,7,13H,1-3,5-6,8H2,(H,11,12)
InChIKeyDGNAHCIJNLXVFK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.65
Rot. Bonds2

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

1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol (PubChem CID 657539) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol
PubChem CID657539
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol
SMILESOC1(Cc2ccn[nH]2)CCCCC1
InChIInChI=1S/C10H16N2O/c13-10(5-2-1-3-6-10)8-9-4-7-11-12-9/h4,7,13H,1-3,5-6,8H2,(H,11,12)
InChIKeyDGNAHCIJNLXVFK-UHFFFAOYSA-N
XLogP1.65
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.65
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-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol (CID 657539) is 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol is OC1(Cc2ccn[nH]2)CCCCC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol?
The InChIKey is DGNAHCIJNLXVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10(5-2-1-3-6-10)8-9-4-7-11-12-9/h4,7,13H,1-3,5-6,8H2,(H,11,12).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol?
1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 657539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).