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

C8H13N3O4S — CID 65379797

IUPACethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c(CC)c1S(N)(=O)=O
InChIInChI=1S/C8H13N3O4S/c1-3-5-7(16(9,13)14)6(11-10-5)8(12)15-4-2/h3-4H2,1-2H3,(H,10,11)(H2,9,13,14)
InChIKeyHNUUPJPQNKHIHI-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.20
Rot. Bonds4

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

ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (PubChem CID 65379797) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
PubChem CID65379797
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Nameethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c(CC)c1S(N)(=O)=O
InChIInChI=1S/C8H13N3O4S/c1-3-5-7(16(9,13)14)6(11-10-5)8(12)15-4-2/h3-4H2,1-2H3,(H,10,11)(H2,9,13,14)
InChIKeyHNUUPJPQNKHIHI-UHFFFAOYSA-N
XLogP-0.20
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381828
2-[(2-methylpropan-2-yl)oxy]ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 115943104
cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66324440
5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
2-methoxyethyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65373730
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
butyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65396345
3,3-dimethylbutyl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66226690
N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465781
5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 65387330

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (CID 65379797) is ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is CCOC(=O)c1n[nH]c(CC)c1S(N)(=O)=O.
What is the InChIKey of ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The InChIKey is HNUUPJPQNKHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-3-5-7(16(9,13)14)6(11-10-5)8(12)15-4-2/h3-4H2,1-2H3,(H,10,11)(H2,9,13,14).
What are the key properties of ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate has a molecular weight of 247.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 65379797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).