3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole

C10H18N2O3 — CID 118196058

IUPAC3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole
SMILESCCOCCc1cc(C(OC)OC)n[nH]1
InChIInChI=1S/C10H18N2O3/c1-4-15-6-5-8-7-9(12-11-8)10(13-2)14-3/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyCWEFBYDPRYJOQA-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.28
Rot. Bonds7

About 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole

3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole (PubChem CID 118196058) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole
PubChem CID118196058
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole
SMILESCCOCCc1cc(C(OC)OC)n[nH]1
InChIInChI=1S/C10H18N2O3/c1-4-15-6-5-8-7-9(12-11-8)10(13-2)14-3/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyCWEFBYDPRYJOQA-UHFFFAOYSA-N
XLogP1.28
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole?
The IUPAC name of 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole (CID 118196058) is 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole.
What is the SMILES notation for 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole?
The canonical SMILES for 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole is CCOCCc1cc(C(OC)OC)n[nH]1.
What is the InChIKey of 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole?
The InChIKey is CWEFBYDPRYJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-15-6-5-8-7-9(12-11-8)10(13-2)14-3/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole?
3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole has a molecular weight of 214.26 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-5-(2-ethoxyethyl)-1H-pyrazole is sourced from PubChem (CID 118196058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).