1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole

C10H18N2O2 — CID 20721842

IUPAC1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole
SMILESCOC(C)OCCn1nc(C)cc1C
InChIInChI=1S/C10H18N2O2/c1-8-7-9(2)12(11-8)5-6-14-10(3)13-4/h7,10H,5-6H2,1-4H3
InChIKeyWDRYRJSFNLJWMN-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.51
Rot. Bonds5

About 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole

1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole (PubChem CID 20721842) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole
PubChem CID20721842
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole
SMILESCOC(C)OCCn1nc(C)cc1C
InChIInChI=1S/C10H18N2O2/c1-8-7-9(2)12(11-8)5-6-14-10(3)13-4/h7,10H,5-6H2,1-4H3
InChIKeyWDRYRJSFNLJWMN-UHFFFAOYSA-N
XLogP1.51
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.51
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 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole (CID 20721842) is 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole is COC(C)OCCn1nc(C)cc1C.
What is the InChIKey of 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole?
The InChIKey is WDRYRJSFNLJWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-7-9(2)12(11-8)5-6-14-10(3)13-4/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole?
1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole has a molecular weight of 198.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxyethoxy)ethyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 20721842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).