5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C148H148FN21O14 — CID 160527549

IUPAC5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1(C)CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.Cc1ccccc1CN1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccccc1CN1CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C22H23N3O2.C21H20FN3O2.5C21H21N3O2/c1-22(2)16-24(14-17-9-5-3-6-10-17)21(26)20-13-18(23-25(20)22)15-27-19-11-7-4-8-12-19;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;2*1-16-7-5-6-8-17(16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-9-3-2-4-10-19;1-16-6-5-7-17(12-16)14-23-10-11-24-20(21(23)25)13-18(22-24)15-26-19-8-3-2-4-9-19;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19/h3-13H,14-16H2,1-2H3;2-8,11-12H,9-10,13-14H2,1H3;2*2-10,13H,11-12,14-15H2,1H3;2*2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3
InChIKeyQVCLLSCHBCQPQQ-UHFFFAOYSA-N
MW2463.94 g/mol
LogP24.55
Rot. Bonds35

About 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 160527549) has the molecular formula C148H148FN21O14 and a molecular weight of 2463.94 g/mol. Its IUPAC name is 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID160527549
Molecular FormulaC148H148FN21O14
Molecular Weight2463.94 g/mol
Exact Mass2462.15
IUPAC Name5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1(C)CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.Cc1ccccc1CN1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccccc1CN1CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C22H23N3O2.C21H20FN3O2.5C21H21N3O2/c1-22(2)16-24(14-17-9-5-3-6-10-17)21(26)20-13-18(23-25(20)22)15-27-19-11-7-4-8-12-19;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;2*1-16-7-5-6-8-17(16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-9-3-2-4-10-19;1-16-6-5-7-17(12-16)14-23-10-11-24-20(21(23)25)13-18(22-24)15-26-19-8-3-2-4-9-19;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19/h3-13H,14-16H2,1-2H3;2-8,11-12H,9-10,13-14H2,1H3;2*2-10,13H,11-12,14-15H2,1H3;2*2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3
InChIKeyQVCLLSCHBCQPQQ-UHFFFAOYSA-N
XLogP24.55
TPSA331.52 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.94
LogP ≤ 524.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 160527549) is 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1(C)CN(Cc2ccccc2)C(=O)c2cc(COc3ccccc3)nn21.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.Cc1ccccc1CN1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccccc1CN1CCn2nc(COc3ccccc3)cc2C1=O.
What is the InChIKey of 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QVCLLSCHBCQPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.C21H20FN3O2.5C21H21N3O2/c1-22(2)16-24(14-17-9-5-3-6-10-17)21(26)20-13-18(23-25(20)22)15-27-19-11-7-4-8-12-19;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;2*1-16-7-5-6-8-17(16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-9-3-2-4-10-19;1-16-6-5-7-17(12-16)14-23-10-11-24-20(21(23)25)13-18(22-24)15-26-19-8-3-2-4-9-19;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19/h3-13H,14-16H2,1-2H3;2-8,11-12H,9-10,13-14H2,1H3;2*2-10,13H,11-12,14-15H2,1H3;2*2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3.
What are the key properties of 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2463.94 g/mol, XLogP of 24.55, 35 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 160527549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).