methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate

C10H14N2O6 — CID 171866089

IUPACmethyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C(O)C(O)c1cn[nH]c1C(=O)OC
InChIInChI=1S/C10H14N2O6/c1-3-18-10(16)8(14)7(13)5-4-11-12-6(5)9(15)17-2/h4,7-8,13-14H,3H2,1-2H3,(H,11,12)
InChIKeyZLGVPLACUDGTOE-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.85
Rot. Bonds5

About methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate

methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate (PubChem CID 171866089) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate
PubChem CID171866089
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Namemethyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C(O)C(O)c1cn[nH]c1C(=O)OC
InChIInChI=1S/C10H14N2O6/c1-3-18-10(16)8(14)7(13)5-4-11-12-6(5)9(15)17-2/h4,7-8,13-14H,3H2,1-2H3,(H,11,12)
InChIKeyZLGVPLACUDGTOE-UHFFFAOYSA-N
XLogP-0.85
TPSA121.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
CID 171863485
ethyl 4-but-3-en-2-yl-1H-pyrazole-5-carboxylate
CID 154944069
3-(5-methoxycarbonyl-1H-pyrazol-4-yl)butanoic acid
CID 83885715
methyl 3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-4-methylbenzoate
CID 171866667
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-methylbenzoate
CID 171866670
methyl 4-(aminomethyl)-1H-pyrazole-5-carboxylate
CID 70096824
ethyl 2,3-dihydroxy-3-(6-oxo-1H-pyrimidin-5-yl)propanoate
CID 171865577
methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-methoxybenzoate
CID 171866986
ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
CID 171866255
methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171866731
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate (CID 171866089) is methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate is CCOC(=O)C(O)C(O)c1cn[nH]c1C(=O)OC.
What is the InChIKey of methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate?
The InChIKey is ZLGVPLACUDGTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-3-18-10(16)8(14)7(13)5-4-11-12-6(5)9(15)17-2/h4,7-8,13-14H,3H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate?
methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate has a molecular weight of 258.23 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 171866089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).