methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate

C9H14N2O4 — CID 57441051

IUPACmethyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate
SMILESCOCCOc1cc(C(=O)OC)n(C)n1
InChIInChI=1S/C9H14N2O4/c1-11-7(9(12)14-3)6-8(10-11)15-5-4-13-2/h6H,4-5H2,1-3H3
InChIKeyGULHXGCHMPOINJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.23
Rot. Bonds5

About methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate

methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate (PubChem CID 57441051) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate
PubChem CID57441051
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate
SMILESCOCCOc1cc(C(=O)OC)n(C)n1
InChIInChI=1S/C9H14N2O4/c1-11-7(9(12)14-3)6-8(10-11)15-5-4-13-2/h6H,4-5H2,1-3H3
InChIKeyGULHXGCHMPOINJ-UHFFFAOYSA-N
XLogP0.23
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate (CID 57441051) is methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate is COCCOc1cc(C(=O)OC)n(C)n1.
What is the InChIKey of methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate?
The InChIKey is GULHXGCHMPOINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-11-7(9(12)14-3)6-8(10-11)15-5-4-13-2/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate?
methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethoxy)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 57441051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).