ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C11H18N4O4S — CID 119964205

IUPACethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C11H18N4O4S/c1-2-19-11(16)9-7-13-14-10(9)20(17,18)15-8-4-3-5-12-6-8/h7-8,12,15H,2-6H2,1H3,(H,13,14)
InChIKeyBBDDJRDCLIKZRD-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.38
Rot. Bonds5

About ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 119964205) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID119964205
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Nameethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C11H18N4O4S/c1-2-19-11(16)9-7-13-14-10(9)20(17,18)15-8-4-3-5-12-6-8/h7-8,12,15H,2-6H2,1H3,(H,13,14)
InChIKeyBBDDJRDCLIKZRD-UHFFFAOYSA-N
XLogP-0.38
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(pyrrolidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119966905
ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60912054
ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713502
ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60911937
ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 120586131
ethyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119967799
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119977041
ethyl 5-(2-cyclopropylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 103835883
ethyl 5-(piperidin-3-ylsulfamoyl)furan-2-carboxylate
CID 119964317
ethyl 5-(2-methylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 119969798
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 119964205) is ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCCNC1.
What is the InChIKey of ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is BBDDJRDCLIKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-2-19-11(16)9-7-13-14-10(9)20(17,18)15-8-4-3-5-12-6-8/h7-8,12,15H,2-6H2,1H3,(H,13,14).
What are the key properties of ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 302.36 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 119964205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).