N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide

C18H24N4O2S — CID 131677839

IUPACN-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCC1CN(Cc2ccccc2)Cc2ccnn21)C1CC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,18-6-7-18)20-11-9-17-14-21(12-15-4-2-1-3-5-15)13-16-8-10-19-22(16)17/h1-5,8,10,17-18,20H,6-7,9,11-14H2
InChIKeyHGOXGJRDSQXAIJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.91
Rot. Bonds7

About N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide

N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide (PubChem CID 131677839) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide
PubChem CID131677839
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCC1CN(Cc2ccccc2)Cc2ccnn21)C1CC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,18-6-7-18)20-11-9-17-14-21(12-15-4-2-1-3-5-15)13-16-8-10-19-22(16)17/h1-5,8,10,17-18,20H,6-7,9,11-14H2
InChIKeyHGOXGJRDSQXAIJ-UHFFFAOYSA-N
XLogP1.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]ethanesulfonamide
CID 131678181
N-[2-[(7S)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide
CID 124779060
N-[2-[5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide
CID 131647263
N-[2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 171695506
N-[[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide
CID 131677919
N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131677673
N-[2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155863961
N-[[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155863419
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571
N-[2-[(7R)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 124895830
N-[2-[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155864436
N-[2-[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131642351

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide (CID 131677839) is N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NCCC1CN(Cc2ccccc2)Cc2ccnn21)C1CC1.
What is the InChIKey of N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is HGOXGJRDSQXAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-25(24,18-6-7-18)20-11-9-17-14-21(12-15-4-2-1-3-5-15)13-16-8-10-19-22(16)17/h1-5,8,10,17-18,20H,6-7,9,11-14H2.
What are the key properties of N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide?
N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 131677839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).