5-(diethoxymethyl)-1-methylpyrazole

C9H16N2O2 — CID 15533127

IUPAC5-(diethoxymethyl)-1-methylpyrazole
SMILESCCOC(OCC)c1ccnn1C
InChIInChI=1S/C9H16N2O2/c1-4-12-9(13-5-2)8-6-7-10-11(8)3/h6-7,9H,4-5H2,1-3H3
InChIKeyOURBHLDHMVYLKP-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.49
Rot. Bonds5

About 5-(diethoxymethyl)-1-methylpyrazole

5-(diethoxymethyl)-1-methylpyrazole (PubChem CID 15533127) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-(diethoxymethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-1-methylpyrazole
PubChem CID15533127
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-(diethoxymethyl)-1-methylpyrazole
SMILESCCOC(OCC)c1ccnn1C
InChIInChI=1S/C9H16N2O2/c1-4-12-9(13-5-2)8-6-7-10-11(8)3/h6-7,9H,4-5H2,1-3H3
InChIKeyOURBHLDHMVYLKP-UHFFFAOYSA-N
XLogP1.49
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-1-methylpyrazole?
The IUPAC name of 5-(diethoxymethyl)-1-methylpyrazole (CID 15533127) is 5-(diethoxymethyl)-1-methylpyrazole.
What is the SMILES notation for 5-(diethoxymethyl)-1-methylpyrazole?
The canonical SMILES for 5-(diethoxymethyl)-1-methylpyrazole is CCOC(OCC)c1ccnn1C.
What is the InChIKey of 5-(diethoxymethyl)-1-methylpyrazole?
The InChIKey is OURBHLDHMVYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-12-9(13-5-2)8-6-7-10-11(8)3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 5-(diethoxymethyl)-1-methylpyrazole?
5-(diethoxymethyl)-1-methylpyrazole has a molecular weight of 184.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-1-methylpyrazole is sourced from PubChem (CID 15533127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).