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

C15H26N4O4S — CID 42960755

IUPACethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(C)N1CCCCC1C
InChIInChI=1S/C15H26N4O4S/c1-4-23-15(20)13-10-16-18-14(13)24(21,22)17-9-12(3)19-8-6-5-7-11(19)2/h10-12,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyVGZSPJHOASQZJV-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.13
Rot. Bonds7

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

ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 42960755) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID42960755
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Nameethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(C)N1CCCCC1C
InChIInChI=1S/C15H26N4O4S/c1-4-23-15(20)13-10-16-18-14(13)24(21,22)17-9-12(3)19-8-6-5-7-11(19)2/h10-12,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyVGZSPJHOASQZJV-UHFFFAOYSA-N
XLogP1.13
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 42960755) is ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(C)N1CCCCC1C.
What is the InChIKey of ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is VGZSPJHOASQZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-4-23-15(20)13-10-16-18-14(13)24(21,22)17-9-12(3)19-8-6-5-7-11(19)2/h10-12,17H,4-9H2,1-3H3,(H,16,18).
What are the key properties of ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(2-methylpiperidin-1-yl)propylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 42960755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).