2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol

C11H20N2O2 — CID 103449416

IUPAC2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
SMILESCCn1cc(C(O)C(O)(CC)CC)cn1
InChIInChI=1S/C11H20N2O2/c1-4-11(15,5-2)10(14)9-7-12-13(6-3)8-9/h7-8,10,14-15H,4-6H2,1-3H3
InChIKeyZDHLMESWYMMFAE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds5

About 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol

2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol (PubChem CID 103449416) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol.

Molecular Properties

Compound Name2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
PubChem CID103449416
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
SMILESCCn1cc(C(O)C(O)(CC)CC)cn1
InChIInChI=1S/C11H20N2O2/c1-4-11(15,5-2)10(14)9-7-12-13(6-3)8-9/h7-8,10,14-15H,4-6H2,1-3H3
InChIKeyZDHLMESWYMMFAE-UHFFFAOYSA-N
XLogP1.49
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol?
The IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol (CID 103449416) is 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol.
What is the SMILES notation for 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol?
The canonical SMILES for 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol is CCn1cc(C(O)C(O)(CC)CC)cn1.
What is the InChIKey of 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol?
The InChIKey is ZDHLMESWYMMFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-11(15,5-2)10(14)9-7-12-13(6-3)8-9/h7-8,10,14-15H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol?
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol has a molecular weight of 212.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol is sourced from PubChem (CID 103449416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).