1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C13H20N4O — CID 114283574

IUPAC1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)c1cnc(C)n1C
InChIInChI=1S/C13H20N4O/c1-8-11(9(2)17(5)15-8)6-13(18)12-7-14-10(3)16(12)4/h7,13,18H,6H2,1-5H3
InChIKeyZXJMZSVWLIEVMD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.35
Rot. Bonds3

About 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 114283574) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID114283574
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)c1cnc(C)n1C
InChIInChI=1S/C13H20N4O/c1-8-11(9(2)17(5)15-8)6-13(18)12-7-14-10(3)16(12)4/h7,13,18H,6H2,1-5H3
InChIKeyZXJMZSVWLIEVMD-UHFFFAOYSA-N
XLogP1.35
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114213625
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105080887
1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
CID 82412586
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 107894694

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 114283574) is 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1CC(O)c1cnc(C)n1C.
What is the InChIKey of 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is ZXJMZSVWLIEVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-11(9(2)17(5)15-8)6-13(18)12-7-14-10(3)16(12)4/h7,13,18H,6H2,1-5H3.
What are the key properties of 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 248.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 114283574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).