ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate

C14H17N3O4S — CID 23646850

IUPACethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C14H17N3O4S/c1-4-21-14(18)13-9(2)16-17(10(13)3)11-5-7-12(8-6-11)22(15,19)20/h5-8H,4H2,1-3H3,(H2,15,19,20)
InChIKeyAJCURTAPAFRXSR-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.31
Rot. Bonds4

About ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate

ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate (PubChem CID 23646850) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
PubChem CID23646850
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Nameethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C14H17N3O4S/c1-4-21-14(18)13-9(2)16-17(10(13)3)11-5-7-12(8-6-11)22(15,19)20/h5-8H,4H2,1-3H3,(H2,15,19,20)
InChIKeyAJCURTAPAFRXSR-UHFFFAOYSA-N
XLogP1.31
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate (CID 23646850) is ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
The InChIKey is AJCURTAPAFRXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-4-21-14(18)13-9(2)16-17(10(13)3)11-5-7-12(8-6-11)22(15,19)20/h5-8H,4H2,1-3H3,(H2,15,19,20).
What are the key properties of ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate?
ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 23646850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).