1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one

C18H22N4O3S — CID 124792291

IUPAC1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21
InChIInChI=1S/C18H22N4O3S/c23-18-7-4-11-20(18)12-9-16-14-21(13-15-8-10-19-22(15)16)26(24,25)17-5-2-1-3-6-17/h1-3,5-6,8,10,16H,4,7,9,11-14H2/t16-/m0/s1
InChIKeyHSHAVKNYURNCKN-INIZCTEOSA-N
MW374.47 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one

1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one (PubChem CID 124792291) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
PubChem CID124792291
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21
InChIInChI=1S/C18H22N4O3S/c23-18-7-4-11-20(18)12-9-16-14-21(13-15-8-10-19-22(15)16)26(24,25)17-5-2-1-3-6-17/h1-3,5-6,8,10,16H,4,7,9,11-14H2/t16-/m0/s1
InChIKeyHSHAVKNYURNCKN-INIZCTEOSA-N
XLogP1.64
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one (CID 124792291) is 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21.
What is the InChIKey of 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
The InChIKey is HSHAVKNYURNCKN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O3S/c23-18-7-4-11-20(18)12-9-16-14-21(13-15-8-10-19-22(15)16)26(24,25)17-5-2-1-3-6-17/h1-3,5-6,8,10,16H,4,7,9,11-14H2/t16-/m0/s1.
What are the key properties of 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one?
1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one has a molecular weight of 374.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 124792291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).