2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol

C11H20N2O3 — CID 103449219

IUPAC2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)c1c(OC)cnn1C
InChIInChI=1S/C11H20N2O3/c1-5-11(15,6-2)10(14)9-8(16-4)7-12-13(9)3/h7,10,14-15H,5-6H2,1-4H3
InChIKeyDPJDKSIONXFUFJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.01
Rot. Bonds5

About 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol

2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol (PubChem CID 103449219) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
PubChem CID103449219
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)c1c(OC)cnn1C
InChIInChI=1S/C11H20N2O3/c1-5-11(15,6-2)10(14)9-8(16-4)7-12-13(9)3/h7,10,14-15H,5-6H2,1-4H3
InChIKeyDPJDKSIONXFUFJ-UHFFFAOYSA-N
XLogP1.01
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047085
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
2-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)butan-1-ol
CID 114645771
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105047293

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol?
The IUPAC name of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol (CID 103449219) is 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol.
What is the SMILES notation for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol?
The canonical SMILES for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol is CCC(O)(CC)C(O)c1c(OC)cnn1C.
What is the InChIKey of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol?
The InChIKey is DPJDKSIONXFUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-11(15,6-2)10(14)9-8(16-4)7-12-13(9)3/h7,10,14-15H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol?
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol has a molecular weight of 228.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol is sourced from PubChem (CID 103449219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).