methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate

C8H12N2O4 — CID 171863485

IUPACmethyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1cn[nH]c1C
InChIInChI=1S/C8H12N2O4/c1-4-5(3-9-10-4)6(11)7(12)8(13)14-2/h3,6-7,11-12H,1-2H3,(H,9,10)
InChIKeyHIFGBPWWZBOJOA-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.71
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate

methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate (PubChem CID 171863485) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
PubChem CID171863485
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1cn[nH]c1C
InChIInChI=1S/C8H12N2O4/c1-4-5(3-9-10-4)6(11)7(12)8(13)14-2/h3,6-7,11-12H,1-2H3,(H,9,10)
InChIKeyHIFGBPWWZBOJOA-UHFFFAOYSA-N
XLogP-0.71
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate
CID 171866089
methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
CID 171865435
1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol
CID 170817285
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate
CID 171863476
1-(5-methyl-1H-pyrazol-4-yl)-3-sulfanylpropane-1,2-diol
CID 170819275
methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate
CID 171865261
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
methyl 2,3-dihydroxy-3-(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 171864055
methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
CID 170884317
1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate (CID 171863485) is methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate is COC(=O)C(O)C(O)c1cn[nH]c1C.
What is the InChIKey of methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate?
The InChIKey is HIFGBPWWZBOJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4-5(3-9-10-4)6(11)7(12)8(13)14-2/h3,6-7,11-12H,1-2H3,(H,9,10).
What are the key properties of methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate?
methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate has a molecular weight of 200.19 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 171863485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).