methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate

C12H14N4O4S — CID 107346272

IUPACmethyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
SMILESCNS(=O)(=O)c1ccc(-n2cc(N)c(C(=O)OC)n2)cc1
InChIInChI=1S/C12H14N4O4S/c1-14-21(18,19)9-5-3-8(4-6-9)16-7-10(13)11(15-16)12(17)20-2/h3-7,14H,13H2,1-2H3
InChIKeyYCVGJYJGWHWJFB-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.15
Rot. Bonds4

About methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate

methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate (PubChem CID 107346272) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
PubChem CID107346272
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Namemethyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
SMILESCNS(=O)(=O)c1ccc(-n2cc(N)c(C(=O)OC)n2)cc1
InChIInChI=1S/C12H14N4O4S/c1-14-21(18,19)9-5-3-8(4-6-9)16-7-10(13)11(15-16)12(17)20-2/h3-7,14H,13H2,1-2H3
InChIKeyYCVGJYJGWHWJFB-UHFFFAOYSA-N
XLogP0.15
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(3-chloro-4-cyanophenyl)pyrazole-3-carboxylate
CID 107346194
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate
CID 177315632
methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate
CID 4737915
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)pyridine-2-carboxylate
CID 107346534
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate (CID 107346272) is methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate is CNS(=O)(=O)c1ccc(-n2cc(N)c(C(=O)OC)n2)cc1.
What is the InChIKey of methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate?
The InChIKey is YCVGJYJGWHWJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-14-21(18,19)9-5-3-8(4-6-9)16-7-10(13)11(15-16)12(17)20-2/h3-7,14H,13H2,1-2H3.
What are the key properties of methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate?
methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate has a molecular weight of 310.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 107346272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).