ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate

C12H15N3O5S — CID 60713526

IUPACethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C12H15N3O5S/c1-3-19-12(16)9-7-13-14-11(9)21(17,18)15-8(2)10-5-4-6-20-10/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyJYUQCRVWPLSGQX-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.22
Rot. Bonds6

About ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 60713526) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID60713526
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Nameethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C12H15N3O5S/c1-3-19-12(16)9-7-13-14-11(9)21(17,18)15-8(2)10-5-4-6-20-10/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyJYUQCRVWPLSGQX-UHFFFAOYSA-N
XLogP1.22
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 115755167
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510748
ethyl 5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 63967060
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 60713526) is ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)c1ccco1.
What is the InChIKey of ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is JYUQCRVWPLSGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-3-19-12(16)9-7-13-14-11(9)21(17,18)15-8(2)10-5-4-6-20-10/h4-8,15H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 313.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60713526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).