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

C15H26N4O3S — CID 124895374

IUPACN-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C15H26N4O3S/c1-2-23(20,21)17-8-4-15-12-18(13-5-9-22-10-6-13)11-14-3-7-16-19(14)15/h3,7,13,15,17H,2,4-6,8-12H2,1H3/t15-/m1/s1
InChIKeyHYKUKVQOFRUMPY-OAHLLOKOSA-N
MW342.47 g/mol
LogP0.75
Rot. Bonds6

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

N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide (PubChem CID 124895374) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
PubChem CID124895374
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C15H26N4O3S/c1-2-23(20,21)17-8-4-15-12-18(13-5-9-22-10-6-13)11-14-3-7-16-19(14)15/h3,7,13,15,17H,2,4-6,8-12H2,1H3/t15-/m1/s1
InChIKeyHYKUKVQOFRUMPY-OAHLLOKOSA-N
XLogP0.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide (CID 124895374) is N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21.
What is the InChIKey of N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
The InChIKey is HYKUKVQOFRUMPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-23(20,21)17-8-4-15-12-18(13-5-9-22-10-6-13)11-14-3-7-16-19(14)15/h3,7,13,15,17H,2,4-6,8-12H2,1H3/t15-/m1/s1.
What are the key properties of N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide?
N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 124895374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).