methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate

C9H14N2O4 — CID 171865435

IUPACmethyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cnn(C)c1C
InChIInChI=1S/C9H14N2O4/c1-5-6(4-10-11(5)2)7(12)8(13)9(14)15-3/h4,7-8,12-13H,1-3H3
InChIKeyVCXBOBWIGGMLNG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.70
Rot. Bonds3

About methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate

methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate (PubChem CID 171865435) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
PubChem CID171865435
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cnn(C)c1C
InChIInChI=1S/C9H14N2O4/c1-5-6(4-10-11(5)2)7(12)8(13)9(14)15-3/h4,7-8,12-13H,1-3H3
InChIKeyVCXBOBWIGGMLNG-UHFFFAOYSA-N
XLogP-0.70
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(prop-2-ynylamino)acetate
CID 79583513
methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
CID 171863485
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584453
methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584636
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanenitrile
CID 171871617
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]pentanoic acid
CID 83042350
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate (CID 171865435) is methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cnn(C)c1C.
What is the InChIKey of methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate?
The InChIKey is VCXBOBWIGGMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5-6(4-10-11(5)2)7(12)8(13)9(14)15-3/h4,7-8,12-13H,1-3H3.
What are the key properties of methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate?
methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate has a molecular weight of 214.22 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).