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

C13H18N4O2 — CID 105123898

IUPAC1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCOc1nccnc1C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4O2/c1-8-10(9(2)17(3)16-8)7-11(18)12-13(19-4)15-6-5-14-12/h5-6,11,18H,7H2,1-4H3
InChIKeyQPAOKTSKQSZOQU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.11
Rot. Bonds4

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

1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105123898) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105123898
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCOc1nccnc1C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4O2/c1-8-10(9(2)17(3)16-8)7-11(18)12-13(19-4)15-6-5-14-12/h5-6,11,18H,7H2,1-4H3
InChIKeyQPAOKTSKQSZOQU-UHFFFAOYSA-N
XLogP1.11
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-methoxypyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105332696
1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114283574
1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methanol
CID 113421458
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105080887
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 103028410
1-(2-bromo-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105100011
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105123898) is 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is COc1nccnc1C(O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is QPAOKTSKQSZOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-10(9(2)17(3)16-8)7-11(18)12-13(19-4)15-6-5-14-12/h5-6,11,18H,7H2,1-4H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105123898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).