methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate

C12H12N2O4S — CID 15932793

IUPACmethyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate
SMILESCOC(=O)c1ccnn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H12N2O4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(7-8-13-14)12(15)18-2/h3-8H,1-2H3
InChIKeyHABMBNSINPKXMF-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate

methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate (PubChem CID 15932793) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate
PubChem CID15932793
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Namemethyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate
SMILESCOC(=O)c1ccnn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H12N2O4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(7-8-13-14)12(15)18-2/h3-8H,1-2H3
InChIKeyHABMBNSINPKXMF-UHFFFAOYSA-N
XLogP1.22
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 140732916
CID 140732916
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methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
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methyl 5-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]penta-2,4-dienoate
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CID 132567659
methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate
CID 11069487
methyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3-dihydropyridine-5-carboxylate
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methyl 3-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propanoate
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CID 54058252

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate?
The IUPAC name of methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate (CID 15932793) is methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate?
The canonical SMILES for methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate is COC(=O)c1ccnn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate?
The InChIKey is HABMBNSINPKXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(7-8-13-14)12(15)18-2/h3-8H,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate?
methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)sulfonylpyrazole-3-carboxylate is sourced from PubChem (CID 15932793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).