5-(diethoxymethyl)-1H-pyrazole

C8H14N2O2 — CID 71359289

IUPAC5-(diethoxymethyl)-1H-pyrazole
SMILESCCOC(OCC)c1ccn[nH]1
InChIInChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-5-6-9-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyBRABHVSZGPCGMF-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.48
Rot. Bonds5

About 5-(diethoxymethyl)-1H-pyrazole

5-(diethoxymethyl)-1H-pyrazole (PubChem CID 71359289) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-(diethoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-1H-pyrazole
PubChem CID71359289
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-(diethoxymethyl)-1H-pyrazole
SMILESCCOC(OCC)c1ccn[nH]1
InChIInChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-5-6-9-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyBRABHVSZGPCGMF-UHFFFAOYSA-N
XLogP1.48
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1H-pyrazole?
The IUPAC name of 5-(diethoxymethyl)-1H-pyrazole (CID 71359289) is 5-(diethoxymethyl)-1H-pyrazole.
What is the SMILES notation for 5-(diethoxymethyl)-1H-pyrazole?
The canonical SMILES for 5-(diethoxymethyl)-1H-pyrazole is CCOC(OCC)c1ccn[nH]1.
What is the InChIKey of 5-(diethoxymethyl)-1H-pyrazole?
The InChIKey is BRABHVSZGPCGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-5-6-9-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5-(diethoxymethyl)-1H-pyrazole?
5-(diethoxymethyl)-1H-pyrazole has a molecular weight of 170.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-1H-pyrazole is sourced from PubChem (CID 71359289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).