tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole

C73H86BrN21O10 — CID 161273818

About tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole

tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole (PubChem CID 161273818) has the molecular formula C73H86BrN21O10 and a molecular weight of 1497.53 g/mol. Its IUPAC name is tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole.

Molecular Properties

• Compound Name: tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole
• PubChem CID: 161273818
• Molecular Formula: C73H86BrN21O10
• Molecular Weight: 1497.53 g/mol
• Exact Mass: 1495.60
• IUPAC Name: tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole
• SMILES: CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)CC1.Cc1cn[nH]c1.Cc1cnn(-c2ccc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)OC(C)(C)C)CC5)cnc43)cc2)c1.Cc1cnn(-c2ccc(-n3ncc4c(=O)n(CC5(O)CCNCC5)cnc43)cc2)c1
• InChI: InChI=1S/C26H31N7O4.C22H26BrN5O4.C21H23N7O2.C4H6N2/c1-18-13-28-32(15-18)19-5-7-20(8-6-19)33-22-21(14-29-33)23(34)31(17-27-22)16-26(36)9-11-30(12-10-26)24(35)37-25(2,3)4;1-21(2,3)32-20(30)26-10-8-22(31,9-11-26)13-27-14-24-18-17(19(27)29)12-25-28(18)16-6-4-15(23)5-7-16;1-15-10-24-27(12-15)16-2-4-17(5-3-16)28-19-18(11-25-28)20(29)26(14-23-19)13-21(30)6-8-22-9-7-21;1-4-2-5-6-3-4/h5-8,13-15,17,36H,9-12,16H2,1-4H3;4-7,12,14,31H,8-11,13H2,1-3H3;2-5,10-12,14,22,30H,6-9,13H2,1H3;2-3H,1H3,(H,5,6)
• InChIKey: VEECXSUHRHGOKG-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 354.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.53
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole?

The IUPAC name of tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole (CID 161273818) is tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole.

What is the SMILES notation for tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole?

The canonical SMILES for tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole is CC(C)(C)OC(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)CC1.Cc1cn[nH]c1.Cc1cnn(-c2ccc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)OC(C)(C)C)CC5)cnc43)cc2)c1.Cc1cnn(-c2ccc(-n3ncc4c(=O)n(CC5(O)CCNCC5)cnc43)cc2)c1.

What is the InChIKey of tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole?

The InChIKey is VEECXSUHRHGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O4.C22H26BrN5O4.C21H23N7O2.C4H6N2/c1-18-13-28-32(15-18)19-5-7-20(8-6-19)33-22-21(14-29-33)23(34)31(17-27-22)16-26(36)9-11-30(12-10-26)24(35)37-25(2,3)4;1-21(2,3)32-20(30)26-10-8-22(31,9-11-26)13-27-14-24-18-17(19(27)29)12-25-28(18)16-6-4-15(23)5-7-16;1-15-10-24-27(12-15)16-2-4-17(5-3-16)28-19-18(11-25-28)20(29)26(14-23-19)13-21(30)6-8-22-9-7-21;1-4-2-5-6-3-4/h5-8,13-15,17,36H,9-12,16H2,1-4H3;4-7,12,14,31H,8-11,13H2,1-3H3;2-5,10-12,14,22,30H,6-9,13H2,1H3;2-3H,1H3,(H,5,6).

What are the key properties of tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole?

tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole has a molecular weight of 1497.53 g/mol, XLogP of 7.85, 11 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[1-(4-bromophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-[[1-[4-(4-methylpyrazol-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]piperidine-1-carboxylate;5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(4-methylpyrazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one;4-methyl-1H-pyrazole is sourced from PubChem (CID 161273818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).