methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C10H10N4O4S — CID 23055541

IUPACmethyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C10H10N4O4S/c1-18-10(15)7-6-12-13-9(7)19(16,17)14-8-4-2-3-5-11-8/h2-6H,1H3,(H,11,14)(H,12,13)
InChIKeyHKEOMOFYTIJROF-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.39
Rot. Bonds4

About methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 23055541) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID23055541
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Namemethyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C10H10N4O4S/c1-18-10(15)7-6-12-13-9(7)19(16,17)14-8-4-2-3-5-11-8/h2-6H,1H3,(H,11,14)(H,12,13)
InChIKeyHKEOMOFYTIJROF-UHFFFAOYSA-N
XLogP0.39
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-2-(pyridin-2-ylsulfamoyl)benzoate
CID 102930757
methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
CID 18363150
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 70474196
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912283
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713527
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 3303174
ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 103775663

Frequently Asked Questions

What is the IUPAC name of methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 23055541) is methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is COC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is HKEOMOFYTIJROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-18-10(15)7-6-12-13-9(7)19(16,17)14-8-4-2-3-5-11-8/h2-6H,1H3,(H,11,14)(H,12,13).
What are the key properties of methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 282.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 23055541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).