ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate

C10H16N2O3 — CID 129386918

IUPACethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@@](C)(O)c1cnn(C)c1C
InChIInChI=1S/C10H16N2O3/c1-5-15-9(13)10(3,14)8-6-11-12(4)7(8)2/h6,14H,5H2,1-4H3/t10-/m0/s1
InChIKeyXUNWCFXTMWNXID-JTQLQIEISA-N
MW212.25 g/mol
LogP0.50
Rot. Bonds3

About ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate

ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate (PubChem CID 129386918) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate
PubChem CID129386918
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@@](C)(O)c1cnn(C)c1C
InChIInChI=1S/C10H16N2O3/c1-5-15-9(13)10(3,14)8-6-11-12(4)7(8)2/h6,14H,5H2,1-4H3/t10-/m0/s1
InChIKeyXUNWCFXTMWNXID-JTQLQIEISA-N
XLogP0.50
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 82406813
4-tert-butyl-1,5-dimethylpyrazole;formamide
CID 155706087
2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid
CID 84719460
ethyl 2-(4-aminotriazol-2-yl)-2-methylpropanoate
CID 165480559
ethyl 2-(3,5-ditert-butylphenyl)-2-hydroxypropanoate
CID 143309553
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
CID 13307804
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
CID 129388918
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate?
The IUPAC name of ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate (CID 129386918) is ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate is CCOC(=O)[C@@](C)(O)c1cnn(C)c1C.
What is the InChIKey of ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate?
The InChIKey is XUNWCFXTMWNXID-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-15-9(13)10(3,14)8-6-11-12(4)7(8)2/h6,14H,5H2,1-4H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate?
ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate has a molecular weight of 212.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate is sourced from PubChem (CID 129386918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).