tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

C10H17N3O4S — CID 65381828

IUPACtert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCc1[nH]nc(C(=O)OC(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S/c1-5-6-8(18(11,15)16)7(13-12-6)9(14)17-10(2,3)4/h5H2,1-4H3,(H,12,13)(H2,11,15,16)
InChIKeyATVYUFRPFVZJIB-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.57
Rot. Bonds3

About tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (PubChem CID 65381828) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
PubChem CID65381828
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nametert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCc1[nH]nc(C(=O)OC(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S/c1-5-6-8(18(11,15)16)7(13-12-6)9(14)17-10(2,3)4/h5H2,1-4H3,(H,12,13)(H2,11,15,16)
InChIKeyATVYUFRPFVZJIB-UHFFFAOYSA-N
XLogP0.57
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The IUPAC name of tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (CID 65381828) is tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is CCc1[nH]nc(C(=O)OC(C)(C)C)c1S(N)(=O)=O.
What is the InChIKey of tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The InChIKey is ATVYUFRPFVZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-5-6-8(18(11,15)16)7(13-12-6)9(14)17-10(2,3)4/h5H2,1-4H3,(H,12,13)(H2,11,15,16).
What are the key properties of tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 65381828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).