1-(4-methylcyclohexyl)pyrazol-4-ol

C10H16N2O — CID 116799375

IUPAC1-(4-methylcyclohexyl)pyrazol-4-ol
SMILESCC1CCC(n2cc(O)cn2)CC1
InChIInChI=1S/C10H16N2O/c1-8-2-4-9(5-3-8)12-7-10(13)6-11-12/h6-9,13H,2-5H2,1H3
InChIKeyYFHMKPMFYCHRTB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.34
Rot. Bonds1

About 1-(4-methylcyclohexyl)pyrazol-4-ol

1-(4-methylcyclohexyl)pyrazol-4-ol (PubChem CID 116799375) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)pyrazol-4-ol
PubChem CID116799375
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(4-methylcyclohexyl)pyrazol-4-ol
SMILESCC1CCC(n2cc(O)cn2)CC1
InChIInChI=1S/C10H16N2O/c1-8-2-4-9(5-3-8)12-7-10(13)6-11-12/h6-9,13H,2-5H2,1H3
InChIKeyYFHMKPMFYCHRTB-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)pyrazol-4-ol?
The IUPAC name of 1-(4-methylcyclohexyl)pyrazol-4-ol (CID 116799375) is 1-(4-methylcyclohexyl)pyrazol-4-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)pyrazol-4-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)pyrazol-4-ol is CC1CCC(n2cc(O)cn2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)pyrazol-4-ol?
The InChIKey is YFHMKPMFYCHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-2-4-9(5-3-8)12-7-10(13)6-11-12/h6-9,13H,2-5H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)pyrazol-4-ol?
1-(4-methylcyclohexyl)pyrazol-4-ol has a molecular weight of 180.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)pyrazol-4-ol is sourced from PubChem (CID 116799375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).