ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

C12H20N4O4S — CID 120586131

IUPACethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C12H20N4O4S/c1-3-20-12(17)10-7-14-15-11(10)21(18,19)16-9-4-5-13-8(2)6-9/h7-9,13,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyWDPHLPOVHYXLML-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.01
Rot. Bonds5

About ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 120586131) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID120586131
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Nameethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C12H20N4O4S/c1-3-20-12(17)10-7-14-15-11(10)21(18,19)16-9-4-5-13-8(2)6-9/h7-9,13,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyWDPHLPOVHYXLML-UHFFFAOYSA-N
XLogP0.01
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 120586131) is ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCNC(C)C1.
What is the InChIKey of ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is WDPHLPOVHYXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-20-12(17)10-7-14-15-11(10)21(18,19)16-9-4-5-13-8(2)6-9/h7-9,13,16H,3-6H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 120586131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).