ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate

C8H13N3O4S — CID 51330519

IUPACethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C
InChIInChI=1S/C8H13N3O4S/c1-4-15-8(12)6-5-9-10-7(6)16(13,14)11(2)3/h5H,4H2,1-3H3,(H,9,10)
InChIKeyYNRXMZFRVXZPAX-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 51330519) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID51330519
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Nameethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C
InChIInChI=1S/C8H13N3O4S/c1-4-15-8(12)6-5-9-10-7(6)16(13,14)11(2)3/h5H,4H2,1-3H3,(H,9,10)
InChIKeyYNRXMZFRVXZPAX-UHFFFAOYSA-N
XLogP-0.16
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 51330519) is ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C.
What is the InChIKey of ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is YNRXMZFRVXZPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-4-15-8(12)6-5-9-10-7(6)16(13,14)11(2)3/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 247.28 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 51330519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).