ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate

C16H26N4O4S — CID 50771764

IUPACethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H26N4O4S/c1-2-24-16(21)14-12-17-18-15(14)25(22,23)20-10-6-13(7-11-20)19-8-4-3-5-9-19/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyCEUBTHBVXDFYKF-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.23
Rot. Bonds5

About ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate

ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate (PubChem CID 50771764) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
PubChem CID50771764
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Nameethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H26N4O4S/c1-2-24-16(21)14-12-17-18-15(14)25(22,23)20-10-6-13(7-11-20)19-8-4-3-5-9-19/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyCEUBTHBVXDFYKF-UHFFFAOYSA-N
XLogP1.23
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate (CID 50771764) is ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The InChIKey is CEUBTHBVXDFYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-2-24-16(21)14-12-17-18-15(14)25(22,23)20-10-6-13(7-11-20)19-8-4-3-5-9-19/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate has a molecular weight of 370.48 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 50771764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).