2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol

C16H28N2O2 — CID 106873747

IUPAC2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCCC(CC)n1ccc(CC2(O)CCCCC2OC)n1
InChIInChI=1S/C16H28N2O2/c1-4-14(5-2)18-11-9-13(17-18)12-16(19)10-7-6-8-15(16)20-3/h9,11,14-15,19H,4-8,10,12H2,1-3H3
InChIKeySNVWWUBGYOTXBE-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.11
Rot. Bonds6

About 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol

2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 106873747) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID106873747
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCCC(CC)n1ccc(CC2(O)CCCCC2OC)n1
InChIInChI=1S/C16H28N2O2/c1-4-14(5-2)18-11-9-13(17-18)12-16(19)10-7-6-8-15(16)20-3/h9,11,14-15,19H,4-8,10,12H2,1-3H3
InChIKeySNVWWUBGYOTXBE-UHFFFAOYSA-N
XLogP3.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Difluoro-2-[2-(2-methoxyethoxymethyl)pyrazol-3-yl]cyclohexan-1-ol
CID 89962446
(1S*,2R*)-5,5-Difluoro-2-{1-[(2-methoxyethoxy)methyl]-1H-pyrazol-5-yl}cyclohexanol
CID 89962450
(1S,2R)-5,5-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89962726
4,4-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963010
(1S*,2R*)-4,4-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89963011
(1S,2R)-4,4-Difluoro-1-(1-methyl-1H-pyrazol-5-yl)cyclohexane-1,2-diol
CID 89963063
5,5-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963152
4,4-Difluoro-2-[2-(2-methoxyethoxymethyl)pyrazol-3-yl]cyclohexan-1-ol
CID 89963375
(1S*,2R*)-4,4-Difluoro-2-[1-[(2-methoxyethoxy)methyl]-1H-pyrazol-5-yl]cyclohexanol
CID 89963376
3,3-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963530
(1S*,2R*)-3,3-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89963531
(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 122657903

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol (CID 106873747) is 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol is CCC(CC)n1ccc(CC2(O)CCCCC2OC)n1.
What is the InChIKey of 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is SNVWWUBGYOTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-14(5-2)18-11-9-13(17-18)12-16(19)10-7-6-8-15(16)20-3/h9,11,14-15,19H,4-8,10,12H2,1-3H3.
What are the key properties of 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106873747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).