ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate

C10H17N3O4S — CID 15933831

IUPACethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate
SMILESCCCCn1ncc(C(=O)OCC)c1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S/c1-3-5-6-13-9(18(11,15)16)8(7-12-13)10(14)17-4-2/h7H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyPXAYCAKFLJXIKD-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.51
Rot. Bonds6

About ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate

ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate (PubChem CID 15933831) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate
PubChem CID15933831
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate
SMILESCCCCn1ncc(C(=O)OCC)c1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S/c1-3-5-6-13-9(18(11,15)16)8(7-12-13)10(14)17-4-2/h7H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyPXAYCAKFLJXIKD-UHFFFAOYSA-N
XLogP0.51
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate (CID 15933831) is ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate is CCCCn1ncc(C(=O)OCC)c1S(N)(=O)=O.
What is the InChIKey of ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate?
The InChIKey is PXAYCAKFLJXIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-5-6-13-9(18(11,15)16)8(7-12-13)10(14)17-4-2/h7H,3-6H2,1-2H3,(H2,11,15,16).
What are the key properties of ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate?
ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butyl-5-sulfamoylpyrazole-4-carboxylate is sourced from PubChem (CID 15933831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).