N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide

C16H22N4O2S — CID 124803263

IUPACN-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide
SMILESCC(C)N1Cc2ccnn2[C@@H](CNS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H22N4O2S/c1-13(2)19-11-14-8-9-17-20(14)15(12-19)10-18-23(21,22)16-6-4-3-5-7-16/h3-9,13,15,18H,10-12H2,1-2H3/t15-/m0/s1
InChIKeyAANANXQKWCWFDA-HNNXBMFYSA-N
MW334.45 g/mol
LogP1.63
Rot. Bonds5

About N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide

N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide (PubChem CID 124803263) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide
PubChem CID124803263
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide
SMILESCC(C)N1Cc2ccnn2[C@@H](CNS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H22N4O2S/c1-13(2)19-11-14-8-9-17-20(14)15(12-19)10-18-23(21,22)16-6-4-3-5-7-16/h3-9,13,15,18H,10-12H2,1-2H3/t15-/m0/s1
InChIKeyAANANXQKWCWFDA-HNNXBMFYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131646319
N-[[(7S)-5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124783317
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131660399
N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155869017
1-[[5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 133135712
N-[[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131678067
1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
CID 124792291
N-[[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131678065
N-[[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131676763
N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]ethanesulfonamide
CID 131678181
N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124782387

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide (CID 124803263) is N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide is CC(C)N1Cc2ccnn2[C@@H](CNS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide?
The InChIKey is AANANXQKWCWFDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-13(2)19-11-14-8-9-17-20(14)15(12-19)10-18-23(21,22)16-6-4-3-5-7-16/h3-9,13,15,18H,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide?
N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 124803263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).