oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

C11H17N3O5S — CID 65381502

IUPACoxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCCc1[nH]nc(C(=O)OC2CCOC2)c1S(N)(=O)=O
InChIInChI=1S/C11H17N3O5S/c1-2-3-8-10(20(12,16)17)9(14-13-8)11(15)19-7-4-5-18-6-7/h7H,2-6H2,1H3,(H,13,14)(H2,12,16,17)
InChIKeyCWZWFTNOMJZPGM-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.04
Rot. Bonds5

About oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (PubChem CID 65381502) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
PubChem CID65381502
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Nameoxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCCc1[nH]nc(C(=O)OC2CCOC2)c1S(N)(=O)=O
InChIInChI=1S/C11H17N3O5S/c1-2-3-8-10(20(12,16)17)9(14-13-8)11(15)19-7-4-5-18-6-7/h7H,2-6H2,1H3,(H,13,14)(H2,12,16,17)
InChIKeyCWZWFTNOMJZPGM-UHFFFAOYSA-N
XLogP-0.04
TPSA124.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The IUPAC name of oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (CID 65381502) is oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is CCCc1[nH]nc(C(=O)OC2CCOC2)c1S(N)(=O)=O.
What is the InChIKey of oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The InChIKey is CWZWFTNOMJZPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-2-3-8-10(20(12,16)17)9(14-13-8)11(15)19-7-4-5-18-6-7/h7H,2-6H2,1H3,(H,13,14)(H2,12,16,17).
What are the key properties of oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate has a molecular weight of 303.34 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 65381502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).