2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol

C13H18N4O — CID 105109618

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cnc(C)cn1
InChIInChI=1S/C13H18N4O/c1-4-17-11(5-9(2)16-17)6-13(18)12-8-14-10(3)7-15-12/h5,7-8,13,18H,4,6H2,1-3H3
InChIKeyXXLKEPQLFWPKNS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol (PubChem CID 105109618) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
PubChem CID105109618
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cnc(C)cn1
InChIInChI=1S/C13H18N4O/c1-4-17-11(5-9(2)16-17)6-13(18)12-8-14-10(3)7-15-12/h5,7-8,13,18H,4,6H2,1-3H3
InChIKeyXXLKEPQLFWPKNS-UHFFFAOYSA-N
XLogP1.59
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113398309
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131436
1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816374
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylfuran-3-yl)ethanol
CID 104789623
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554068
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816497
5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66036324
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115816490
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816458

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol (CID 105109618) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol is CCn1nc(C)cc1CC(O)c1cnc(C)cn1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol?
The InChIKey is XXLKEPQLFWPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-17-11(5-9(2)16-17)6-13(18)12-8-14-10(3)7-15-12/h5,7-8,13,18H,4,6H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol is sourced from PubChem (CID 105109618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).