ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate

C9H14N2O4 — CID 114636536

IUPACethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
SMILESCCOC(=O)C(O)c1c(OC)cnn1C
InChIInChI=1S/C9H14N2O4/c1-4-15-9(13)8(12)7-6(14-3)5-10-11(7)2/h5,8,12H,4H2,1-3H3
InChIKeyJWRNFCGKYUSQDU-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.03
Rot. Bonds4

About ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate

ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate (PubChem CID 114636536) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
PubChem CID114636536
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
SMILESCCOC(=O)C(O)c1c(OC)cnn1C
InChIInChI=1S/C9H14N2O4/c1-4-15-9(13)8(12)7-6(14-3)5-10-11(7)2/h5,8,12H,4H2,1-3H3
InChIKeyJWRNFCGKYUSQDU-UHFFFAOYSA-N
XLogP0.03
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117453752
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate (CID 114636536) is ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate is CCOC(=O)C(O)c1c(OC)cnn1C.
What is the InChIKey of ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate?
The InChIKey is JWRNFCGKYUSQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-4-15-9(13)8(12)7-6(14-3)5-10-11(7)2/h5,8,12H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate?
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate has a molecular weight of 214.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate is sourced from PubChem (CID 114636536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).