3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane

C11H22N2O2 — CID 143075009

IUPAC3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane
SMILESCCOC.CCOC(C)c1cc(C)[nH]n1
InChIInChI=1S/C8H14N2O.C3H8O/c1-4-11-7(3)8-5-6(2)9-10-8;1-3-4-2/h5,7H,4H2,1-3H3,(H,9,10);3H2,1-2H3
InChIKeyQPYDSWRJBXQHCH-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.47
Rot. Bonds4

About 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane

3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane (PubChem CID 143075009) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane
PubChem CID143075009
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane
SMILESCCOC.CCOC(C)c1cc(C)[nH]n1
InChIInChI=1S/C8H14N2O.C3H8O/c1-4-11-7(3)8-5-6(2)9-10-8;1-3-4-2/h5,7H,4H2,1-3H3,(H,9,10);3H2,1-2H3
InChIKeyQPYDSWRJBXQHCH-UHFFFAOYSA-N
XLogP2.47
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane?
The IUPAC name of 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane (CID 143075009) is 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane?
The canonical SMILES for 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane is CCOC.CCOC(C)c1cc(C)[nH]n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane?
The InChIKey is QPYDSWRJBXQHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C3H8O/c1-4-11-7(3)8-5-6(2)9-10-8;1-3-4-2/h5,7H,4H2,1-3H3,(H,9,10);3H2,1-2H3.
What are the key properties of 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane?
3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane has a molecular weight of 214.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-methyl-1H-pyrazole;methoxyethane is sourced from PubChem (CID 143075009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).