N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide

C15H24N4O3S — CID 126828401

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2cc3n(n2)CCC3)C1
InChIInChI=1S/C15H24N4O3S/c1-2-23(21,22)18-7-3-5-12(11-18)15(20)16-10-13-9-14-6-4-8-19(14)17-13/h9,12H,2-8,10-11H2,1H3,(H,16,20)
InChIKeyZJGSIGOYNPQKIC-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.51
Rot. Bonds5

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 126828401) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID126828401
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2cc3n(n2)CCC3)C1
InChIInChI=1S/C15H24N4O3S/c1-2-23(21,22)18-7-3-5-12(11-18)15(20)16-10-13-9-14-6-4-8-19(14)17-13/h9,12H,2-8,10-11H2,1H3,(H,16,20)
InChIKeyZJGSIGOYNPQKIC-UHFFFAOYSA-N
XLogP0.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
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CID 4776890
(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
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(3R)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562311
(3S)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562313
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
(3S)-1-ethylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95196197
(3S)-1-ethylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125074145
(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 28562303
N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 122561253

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide (CID 126828401) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCc2cc3n(n2)CCC3)C1.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZJGSIGOYNPQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-23(21,22)18-7-3-5-12(11-18)15(20)16-10-13-9-14-6-4-8-19(14)17-13/h9,12H,2-8,10-11H2,1H3,(H,16,20).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 126828401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).