N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide

C17H22N4O4S — CID 131678219

IUPACN-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21
InChIInChI=1S/C17H22N4O4S/c1-2-26(22,23)19-8-15-11-20(10-14-5-6-18-21(14)15)9-13-3-4-16-17(7-13)25-12-24-16/h3-7,15,19H,2,8-12H2,1H3
InChIKeyWSGXOANHNKZLQD-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.11
Rot. Bonds6

About N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide

N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide (PubChem CID 131678219) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
PubChem CID131678219
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21
InChIInChI=1S/C17H22N4O4S/c1-2-26(22,23)19-8-15-11-20(10-14-5-6-18-21(14)15)9-13-3-4-16-17(7-13)25-12-24-16/h3-7,15,19H,2,8-12H2,1H3
InChIKeyWSGXOANHNKZLQD-UHFFFAOYSA-N
XLogP1.11
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131678065
N-[2-[(7R)-5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-2-methylpropanamide
CID 124821597
(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796390
N-[2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 131655421
N-[[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131676763
2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155847601
N-[[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131678067
N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]ethanesulfonamide
CID 131678181
N-[[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865427
N-[[(7R)-5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124781960
N-[[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide
CID 131677919
2-(1,3-benzodioxol-5-yl)-1-[(7S)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 124814359

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide (CID 131678219) is N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The InChIKey is WSGXOANHNKZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-2-26(22,23)19-8-15-11-20(10-14-5-6-18-21(14)15)9-13-3-4-16-17(7-13)25-12-24-16/h3-7,15,19H,2,8-12H2,1H3.
What are the key properties of N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131678219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).