3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

C30H35F3N8O3 — CID 159947758

IUPAC3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
SMILESC[C@H]1Cn2ncc(C3CCNC3=O)c2CN1.C[C@H]1Cn2ncc(C3CCNC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H19F3N4O2.C11H16N4O/c1-10-8-26-16(13(7-24-26)12-2-3-23-19(12)28)9-25(10)17(27)6-11-4-14(20)18(22)15(21)5-11;1-7-6-15-10(5-13-7)9(4-14-15)8-2-3-12-11(8)16/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,23,28);4,7-8,13H,2-3,5-6H2,1H3,(H,12,16)/t10-,12?;7-,8?/m00/s1
InChIKeyOBSAGILPBZAVCF-YZAZWCPWSA-N
MW612.66 g/mol
LogP1.86
Rot. Bonds4

About 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (PubChem CID 159947758) has the molecular formula C30H35F3N8O3 and a molecular weight of 612.66 g/mol. Its IUPAC name is 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
PubChem CID159947758
Molecular FormulaC30H35F3N8O3
Molecular Weight612.66 g/mol
Exact Mass612.28
IUPAC Name3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
SMILESC[C@H]1Cn2ncc(C3CCNC3=O)c2CN1.C[C@H]1Cn2ncc(C3CCNC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H19F3N4O2.C11H16N4O/c1-10-8-26-16(13(7-24-26)12-2-3-23-19(12)28)9-25(10)17(27)6-11-4-14(20)18(22)15(21)5-11;1-7-6-15-10(5-13-7)9(4-14-15)8-2-3-12-11(8)16/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,23,28);4,7-8,13H,2-3,5-6H2,1H3,(H,12,16)/t10-,12?;7-,8?/m00/s1
InChIKeyOBSAGILPBZAVCF-YZAZWCPWSA-N
XLogP1.86
TPSA126.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.66
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483826
(6S)-6-methyl-3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166627192
(6S)-6-methyl-3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166630587
(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 166629924
2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide
CID 166635857
(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166636507
(5R,6S)-6-(3,5-difluorophenyl)-5-[(5-methyl-1-propylpyrazol-4-yl)methylamino]piperidin-2-one
CID 16676698
(2S)-N-[(1S)-2-[(3S,8aR)-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 58137849
(2S)-N-[(1S)-2-[(3S,8aR)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 58137884
(2S)-2-[[(1S)-2-[(3S,8aR)-3-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-cyclohexyl-2-oxoethyl]-methylamino]propanamide
CID 66972423
(1S)-1-cyclohexyl-2-[(3S,8aR)-3-[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethanamine
CID 66972549
(2S)-2-[[(1S)-2-[(3S,8aR)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-cyclohexyl-2-oxoethyl]-methylamino]propanamide
CID 66972946

Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The IUPAC name of 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (CID 159947758) is 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is C[C@H]1Cn2ncc(C3CCNC3=O)c2CN1.C[C@H]1Cn2ncc(C3CCNC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The InChIKey is OBSAGILPBZAVCF-YZAZWCPWSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C11H16N4O/c1-10-8-26-16(13(7-24-26)12-2-3-23-19(12)28)9-25(10)17(27)6-11-4-14(20)18(22)15(21)5-11;1-7-6-15-10(5-13-7)9(4-14-15)8-2-3-12-11(8)16/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,23,28);4,7-8,13H,2-3,5-6H2,1H3,(H,12,16)/t10-,12?;7-,8?/m00/s1.
What are the key properties of 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one has a molecular weight of 612.66 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 159947758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).