methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate

C13H12N2O5 — CID 4737915

IUPACmethyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(O)c(C(=O)OC)n2)cc1
InChIInChI=1S/C13H12N2O5/c1-19-12(17)8-3-5-9(6-4-8)15-7-10(16)11(14-15)13(18)20-2/h3-7,16H,1-2H3
InChIKeyAFOZLMTUYTVTMA-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.15
Rot. Bonds3

About methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate

methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate (PubChem CID 4737915) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate
PubChem CID4737915
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Namemethyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(O)c(C(=O)OC)n2)cc1
InChIInChI=1S/C13H12N2O5/c1-19-12(17)8-3-5-9(6-4-8)15-7-10(16)11(14-15)13(18)20-2/h3-7,16H,1-2H3
InChIKeyAFOZLMTUYTVTMA-UHFFFAOYSA-N
XLogP1.15
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(3-chloro-4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 705932
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
methyl 4-[3-(difluoromethyl)-4-nitropyrazol-1-yl]benzoate
CID 146599271
methyl 4-[1-(4-methoxycarbonylphenyl)triazol-4-yl]benzoate
CID 102197872
methyl 4-(4-cyano-3-phenylpyrazol-1-yl)benzoate
CID 58003674
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
CID 42109731
methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
CID 107346272
methyl 5-ethyl-1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953636
ethyl 1-(4-methoxycarbonylphenyl)triazole-4-carboxylate
CID 122241318
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate (CID 4737915) is methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate is COC(=O)c1ccc(-n2cc(O)c(C(=O)OC)n2)cc1.
What is the InChIKey of methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate?
The InChIKey is AFOZLMTUYTVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-19-12(17)8-3-5-9(6-4-8)15-7-10(16)11(14-15)13(18)20-2/h3-7,16H,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate?
methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate has a molecular weight of 276.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 4737915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).