1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one

C17H19FN4O3S — CID 124792431

IUPAC1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2ccnn21
InChIInChI=1S/C17H19FN4O3S/c18-13-3-1-4-16(9-13)26(24,25)21-11-14-6-7-19-22(14)15(12-21)10-20-8-2-5-17(20)23/h1,3-4,6-7,9,15H,2,5,8,10-12H2/t15-/m1/s1
InChIKeyILIQYXLSXKLXDR-OAHLLOKOSA-N
MW378.43 g/mol
LogP1.39
Rot. Bonds4

About 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one

1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (PubChem CID 124792431) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
PubChem CID124792431
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2ccnn21
InChIInChI=1S/C17H19FN4O3S/c18-13-3-1-4-16(9-13)26(24,25)21-11-14-6-7-19-22(14)15(12-21)10-20-8-2-5-17(20)23/h1,3-4,6-7,9,15H,2,5,8,10-12H2/t15-/m1/s1
InChIKeyILIQYXLSXKLXDR-OAHLLOKOSA-N
XLogP1.39
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 133135712
1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
CID 124792291
1-[[(7R)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 124806701
1-[[(7S)-5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 124806700
1-[[(7S)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 124794332
5-(3-methylphenyl)sulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155866458
1-[[5-(1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 131693985
3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122275169
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
5-(3-fluorophenyl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201446

Frequently Asked Questions

What is the IUPAC name of 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (CID 124792431) is 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2ccnn21.
What is the InChIKey of 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
The InChIKey is ILIQYXLSXKLXDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c18-13-3-1-4-16(9-13)26(24,25)21-11-14-6-7-19-22(14)15(12-21)10-20-8-2-5-17(20)23/h1,3-4,6-7,9,15H,2,5,8,10-12H2/t15-/m1/s1.
What are the key properties of 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?
1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124792431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).