1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol

C12H22N2O — CID 105122769

IUPAC1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
SMILESCc1cc(C(O)CCCC(C)C)n(C)n1
InChIInChI=1S/C12H22N2O/c1-9(2)6-5-7-12(15)11-8-10(3)13-14(11)4/h8-9,12,15H,5-7H2,1-4H3
InChIKeyOIFVYCLQENQYMG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.59
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol

1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol (PubChem CID 105122769) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
PubChem CID105122769
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
SMILESCc1cc(C(O)CCCC(C)C)n(C)n1
InChIInChI=1S/C12H22N2O/c1-9(2)6-5-7-12(15)11-8-10(3)13-14(11)4/h8-9,12,15H,5-7H2,1-4H3
InChIKeyOIFVYCLQENQYMG-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
1-(2,5-dimethylpyrazol-3-yl)-3-ethylpentan-1-ol
CID 105122554
1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
CID 112709780
1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 105077036
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105694
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
CID 105096744
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105086618

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol (CID 105122769) is 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol is Cc1cc(C(O)CCCC(C)C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol?
The InChIKey is OIFVYCLQENQYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)6-5-7-12(15)11-8-10(3)13-14(11)4/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol?
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 105122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).