2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one

C11H18N2O2 — CID 103447067

IUPAC2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
SMILESCCn1nccc1C(=O)C(O)(CC)CC
InChIInChI=1S/C11H18N2O2/c1-4-11(15,5-2)10(14)9-7-8-12-13(9)6-3/h7-8,15H,4-6H2,1-3H3
InChIKeyYTDIZNVTTYQWAW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.64
Rot. Bonds5

About 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one

2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one (PubChem CID 103447067) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
PubChem CID103447067
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
SMILESCCn1nccc1C(=O)C(O)(CC)CC
InChIInChI=1S/C11H18N2O2/c1-4-11(15,5-2)10(14)9-7-8-12-13(9)6-3/h7-8,15H,4-6H2,1-3H3
InChIKeyYTDIZNVTTYQWAW-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one?
The IUPAC name of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one (CID 103447067) is 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one?
The canonical SMILES for 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one is CCn1nccc1C(=O)C(O)(CC)CC.
What is the InChIKey of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one?
The InChIKey is YTDIZNVTTYQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-11(15,5-2)10(14)9-7-8-12-13(9)6-3/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one?
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one is sourced from PubChem (CID 103447067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).