3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol

C13H22N2O2 — CID 106874124

IUPAC3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
SMILESCOC1CCCC(O)(CCc2cnn(C)c2)C1
InChIInChI=1S/C13H22N2O2/c1-15-10-11(9-14-15)5-7-13(16)6-3-4-12(8-13)17-2/h9-10,12,16H,3-8H2,1-2H3
InChIKeyGCFPNSKASBAXKC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.67
Rot. Bonds4

About 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol

3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol (PubChem CID 106874124) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
PubChem CID106874124
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
SMILESCOC1CCCC(O)(CCc2cnn(C)c2)C1
InChIInChI=1S/C13H22N2O2/c1-15-10-11(9-14-15)5-7-13(16)6-3-4-12(8-13)17-2/h9-10,12,16H,3-8H2,1-2H3
InChIKeyGCFPNSKASBAXKC-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol (CID 106874124) is 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol is COC1CCCC(O)(CCc2cnn(C)c2)C1.
What is the InChIKey of 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
The InChIKey is GCFPNSKASBAXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15-10-11(9-14-15)5-7-13(16)6-3-4-12(8-13)17-2/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 106874124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).