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

C12H18N4O — CID 114554068

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1ccnn1C
InChIInChI=1S/C12H18N4O/c1-4-16-10(7-9(2)14-16)8-12(17)11-5-6-13-15(11)3/h5-7,12,17H,4,8H2,1-3H3
InChIKeyQEJPOKYVEQYEOV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds4

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

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 114554068) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID114554068
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1ccnn1C
InChIInChI=1S/C12H18N4O/c1-4-16-10(7-9(2)14-16)8-12(17)11-5-6-13-15(11)3/h5-7,12,17H,4,8H2,1-3H3
InChIKeyQEJPOKYVEQYEOV-UHFFFAOYSA-N
XLogP1.22
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol (CID 114554068) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol is CCn1nc(C)cc1CC(O)c1ccnn1C.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is QEJPOKYVEQYEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-16-10(7-9(2)14-16)8-12(17)11-5-6-13-15(11)3/h5-7,12,17H,4,8H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.22, 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-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114554068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).