5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C118H110F3N21O12 — CID 158429211

IUPAC5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(F)cc1CN1CCn2nc(OCc3ccccc3)cc2C1=O.Cc1ccc(N2CC(C)n3nc(OCc4ccccc4)cc3C2=O)cc1.Cc1ccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)cc1.Cc1cccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1nc(N2CCn3nc(OCc4ccccc4)cc3C2=O)ncc1F.O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccccc1F
InChIInChI=1S/C21H20FN3O2.C21H21N3O2.C20H19N3O2.C19H16FN3O2.C19H18N4O2.C18H16FN5O2/c1-15-7-8-18(22)11-17(15)13-24-9-10-25-19(21(24)26)12-20(23-25)27-14-16-5-3-2-4-6-16;1-15-8-10-18(11-9-15)23-13-16(2)24-19(21(23)25)12-20(22-24)26-14-17-6-4-3-5-7-17;1-15-7-9-17(10-8-15)22-11-12-23-18(20(22)24)13-19(21-23)25-14-16-5-3-2-4-6-16;20-15-8-4-5-9-16(15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-6-2-1-3-7-14;1-14-6-5-9-17(20-14)22-10-11-23-16(19(22)24)12-18(21-23)25-13-15-7-3-2-4-8-15;1-12-14(19)10-20-18(21-12)23-7-8-24-15(17(23)25)9-16(22-24)26-11-13-5-3-2-4-6-13/h2-8,11-12H,9-10,13-14H2,1H3;3-12,16H,13-14H2,1-2H3;2-10,13H,11-12,14H2,1H3;1-9,12H,10-11,13H2;2-9,12H,10-11,13H2,1H3;2-6,9-10H,7-8,11H2,1H3
InChIKeyHBLGTGPWRNKQDS-UHFFFAOYSA-N
MW2071.31 g/mol
LogP19.44
Rot. Bonds25

About 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 158429211) has the molecular formula C118H110F3N21O12 and a molecular weight of 2071.31 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID158429211
Molecular FormulaC118H110F3N21O12
Molecular Weight2071.31 g/mol
Exact Mass2069.86
IUPAC Name5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(F)cc1CN1CCn2nc(OCc3ccccc3)cc2C1=O.Cc1ccc(N2CC(C)n3nc(OCc4ccccc4)cc3C2=O)cc1.Cc1ccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)cc1.Cc1cccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1nc(N2CCn3nc(OCc4ccccc4)cc3C2=O)ncc1F.O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccccc1F
InChIInChI=1S/C21H20FN3O2.C21H21N3O2.C20H19N3O2.C19H16FN3O2.C19H18N4O2.C18H16FN5O2/c1-15-7-8-18(22)11-17(15)13-24-9-10-25-19(21(24)26)12-20(23-25)27-14-16-5-3-2-4-6-16;1-15-8-10-18(11-9-15)23-13-16(2)24-19(21(23)25)12-20(22-24)26-14-17-6-4-3-5-7-17;1-15-7-9-17(10-8-15)22-11-12-23-18(20(22)24)13-19(21-23)25-14-16-5-3-2-4-6-16;20-15-8-4-5-9-16(15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-6-2-1-3-7-14;1-14-6-5-9-17(20-14)22-10-11-23-16(19(22)24)12-18(21-23)25-13-15-7-3-2-4-8-15;1-12-14(19)10-20-18(21-12)23-7-8-24-15(17(23)25)9-16(22-24)26-11-13-5-3-2-4-6-13/h2-8,11-12H,9-10,13-14H2,1H3;3-12,16H,13-14H2,1-2H3;2-10,13H,11-12,14H2,1H3;1-9,12H,10-11,13H2;2-9,12H,10-11,13H2,1H3;2-6,9-10H,7-8,11H2,1H3
InChIKeyHBLGTGPWRNKQDS-UHFFFAOYSA-N
XLogP19.44
TPSA322.83 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.31
LogP ≤ 519.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-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-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 158429211) is 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(F)cc1CN1CCn2nc(OCc3ccccc3)cc2C1=O.Cc1ccc(N2CC(C)n3nc(OCc4ccccc4)cc3C2=O)cc1.Cc1ccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)cc1.Cc1cccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1nc(N2CCn3nc(OCc4ccccc4)cc3C2=O)ncc1F.O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccccc1F.
What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HBLGTGPWRNKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2.C21H21N3O2.C20H19N3O2.C19H16FN3O2.C19H18N4O2.C18H16FN5O2/c1-15-7-8-18(22)11-17(15)13-24-9-10-25-19(21(24)26)12-20(23-25)27-14-16-5-3-2-4-6-16;1-15-8-10-18(11-9-15)23-13-16(2)24-19(21(23)25)12-20(22-24)26-14-17-6-4-3-5-7-17;1-15-7-9-17(10-8-15)22-11-12-23-18(20(22)24)13-19(21-23)25-14-16-5-3-2-4-6-16;20-15-8-4-5-9-16(15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-6-2-1-3-7-14;1-14-6-5-9-17(20-14)22-10-11-23-16(19(22)24)12-18(21-23)25-13-15-7-3-2-4-8-15;1-12-14(19)10-20-18(21-12)23-7-8-24-15(17(23)25)9-16(22-24)26-11-13-5-3-2-4-6-13/h2-8,11-12H,9-10,13-14H2,1H3;3-12,16H,13-14H2,1-2H3;2-10,13H,11-12,14H2,1H3;1-9,12H,10-11,13H2;2-9,12H,10-11,13H2,1H3;2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2071.31 g/mol, XLogP of 19.44, 25 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-fluoro-4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2-fluorophenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-methyl-5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylphenyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 158429211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).