ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate

C12H14N4O4S — CID 12517949

IUPACethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C12H14N4O4S/c1-2-20-12(17)10-7-15-16(11(10)13)8-3-5-9(6-4-8)21(14,18)19/h3-7H,2,13H2,1H3,(H2,14,18,19)
InChIKeyMFGZXPGKKJMZIY-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.28
Rot. Bonds4

About ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate (PubChem CID 12517949) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
PubChem CID12517949
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Nameethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C12H14N4O4S/c1-2-20-12(17)10-7-15-16(11(10)13)8-3-5-9(6-4-8)21(14,18)19/h3-7H,2,13H2,1H3,(H2,14,18,19)
InChIKeyMFGZXPGKKJMZIY-UHFFFAOYSA-N
XLogP0.28
TPSA130.30 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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate (CID 12517949) is ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
The InChIKey is MFGZXPGKKJMZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-2-20-12(17)10-7-15-16(11(10)13)8-3-5-9(6-4-8)21(14,18)19/h3-7H,2,13H2,1H3,(H2,14,18,19).
What are the key properties of ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate has a molecular weight of 310.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 12517949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).