ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate

C12H20N4O4S — CID 119977041

IUPACethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H20N4O4S/c1-2-20-12(17)10-8-14-16-11(10)21(18,19)15-6-4-9-3-5-13-7-9/h8-9,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyOLYZUODHAXXSEL-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.14
Rot. Bonds7

About ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 119977041) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID119977041
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Nameethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H20N4O4S/c1-2-20-12(17)10-8-14-16-11(10)21(18,19)15-6-4-9-3-5-13-7-9/h8-9,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyOLYZUODHAXXSEL-UHFFFAOYSA-N
XLogP-0.14
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(pyrrolidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
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ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
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ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 61403878
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
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CID 171146060
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-(2-cyclopropylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 103835883
ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60911937
ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 120586131
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 119977041) is ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCCC1CCNC1.
What is the InChIKey of ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is OLYZUODHAXXSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-2-20-12(17)10-8-14-16-11(10)21(18,19)15-6-4-9-3-5-13-7-9/h8-9,13,15H,2-7H2,1H3,(H,14,16).
What are the key properties of ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 316.38 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 119977041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).