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

C10H18N2O3 — CID 118157112

IUPAC5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole
SMILESCCOCCn1nccc1C(OC)OC
InChIInChI=1S/C10H18N2O3/c1-4-15-8-7-12-9(5-6-11-12)10(13-2)14-3/h5-6,10H,4,7-8H2,1-3H3
InChIKeyGCVIRDOFLBDMLK-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.21
Rot. Bonds7

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

5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole (PubChem CID 118157112) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole.

Molecular Properties

Compound Name5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole
PubChem CID118157112
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole
SMILESCCOCCn1nccc1C(OC)OC
InChIInChI=1S/C10H18N2O3/c1-4-15-8-7-12-9(5-6-11-12)10(13-2)14-3/h5-6,10H,4,7-8H2,1-3H3
InChIKeyGCVIRDOFLBDMLK-UHFFFAOYSA-N
XLogP1.21
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol
CID 168904377
ethyl 5-(dimethoxymethyl)pyrazole-1-carboxylate
CID 91288066
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804
N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 116720430
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
CID 114277839
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116713015
N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
CID 114277902
[3-methoxy-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105206275
[2-ethoxy-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105235336
[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
CID 106458252

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole?
The IUPAC name of 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole (CID 118157112) is 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole.
What is the SMILES notation for 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole?
The canonical SMILES for 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole is CCOCCn1nccc1C(OC)OC.
What is the InChIKey of 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole?
The InChIKey is GCVIRDOFLBDMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-15-8-7-12-9(5-6-11-12)10(13-2)14-3/h5-6,10H,4,7-8H2,1-3H3.
What are the key properties of 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole?
5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole has a molecular weight of 214.26 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole is sourced from PubChem (CID 118157112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).