1-(1-methoxyethyl)-3-methylpyrazole

C7H12N2O — CID 70669987

IUPAC1-(1-methoxyethyl)-3-methylpyrazole
SMILESCOC(C)n1ccc(C)n1
InChIInChI=1S/C7H12N2O/c1-6-4-5-9(8-6)7(2)10-3/h4-5,7H,1-3H3
InChIKeyMBSZULQVUDNVPY-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.36
Rot. Bonds2

About 1-(1-methoxyethyl)-3-methylpyrazole

1-(1-methoxyethyl)-3-methylpyrazole (PubChem CID 70669987) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(1-methoxyethyl)-3-methylpyrazole
PubChem CID70669987
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(1-methoxyethyl)-3-methylpyrazole
SMILESCOC(C)n1ccc(C)n1
InChIInChI=1S/C7H12N2O/c1-6-4-5-9(8-6)7(2)10-3/h4-5,7H,1-3H3
InChIKeyMBSZULQVUDNVPY-UHFFFAOYSA-N
XLogP1.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-3-methylpyrazole?
The IUPAC name of 1-(1-methoxyethyl)-3-methylpyrazole (CID 70669987) is 1-(1-methoxyethyl)-3-methylpyrazole.
What is the SMILES notation for 1-(1-methoxyethyl)-3-methylpyrazole?
The canonical SMILES for 1-(1-methoxyethyl)-3-methylpyrazole is COC(C)n1ccc(C)n1.
What is the InChIKey of 1-(1-methoxyethyl)-3-methylpyrazole?
The InChIKey is MBSZULQVUDNVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-4-5-9(8-6)7(2)10-3/h4-5,7H,1-3H3.
What are the key properties of 1-(1-methoxyethyl)-3-methylpyrazole?
1-(1-methoxyethyl)-3-methylpyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-3-methylpyrazole is sourced from PubChem (CID 70669987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).