methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate

C10H14N2O5 — CID 11333961

IUPACmethyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)COc1cc(C(=O)OC)nn1C
InChIInChI=1S/C10H14N2O5/c1-4-16-9(13)6-17-8-5-7(10(14)15-3)11-12(8)2/h5H,4,6H2,1-3H3
InChIKeyXZHKGYQMPXAKTR-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.15
Rot. Bonds5

About methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate

methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate (PubChem CID 11333961) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate
PubChem CID11333961
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)COc1cc(C(=O)OC)nn1C
InChIInChI=1S/C10H14N2O5/c1-4-16-9(13)6-17-8-5-7(10(14)15-3)11-12(8)2/h5H,4,6H2,1-3H3
InChIKeyXZHKGYQMPXAKTR-UHFFFAOYSA-N
XLogP0.15
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(2-methylpyrazol-3-yl)oxyacetate
CID 146256718
5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
CID 11148327
ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
CID 174197140
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118130839
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118192267
methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate
CID 2992589
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
methyl 5-isocyano-1-methylpyrazole-3-carboxylate
CID 58448432

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate (CID 11333961) is methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate is CCOC(=O)COc1cc(C(=O)OC)nn1C.
What is the InChIKey of methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate?
The InChIKey is XZHKGYQMPXAKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-4-16-9(13)6-17-8-5-7(10(14)15-3)11-12(8)2/h5H,4,6H2,1-3H3.
What are the key properties of methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate?
methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 11333961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).