3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol

C81H86N30O — CID 157480661

About 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol

3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol (PubChem CID 157480661) has the molecular formula C81H86N30O and a molecular weight of 1495.79 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol.

Molecular Properties

• Compound Name: 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol
• PubChem CID: 157480661
• Molecular Formula: C81H86N30O
• Molecular Weight: 1495.79 g/mol
• Exact Mass: 1494.76
• IUPAC Name: 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol
• SMILES: CN(C)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.CN(C)c1cccc(Nc2ccnc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(-n5ccnc5)cc4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4ccc(O)cc4)ccnc23)cn1
• InChI: InChI=1S/C24H25N9.C23H28N8.C18H19N7.C16H14N6O/c1-31-15-18(13-27-31)21-14-28-33-23(11-22(30-24(21)33)17-3-2-8-25-12-17)29-19-4-6-20(7-5-19)32-10-9-26-16-32;1-29(2)19-8-4-7-18(10-19)27-22-11-21(16-6-5-9-24-12-16)28-23-20(14-26-31(22)23)17-13-25-30(3)15-17;1-23(2)15-6-4-5-14(9-15)22-17-7-8-19-18-16(11-21-25(17)18)13-10-20-24(3)12-13;1-21-10-11(8-18-21)14-9-19-22-15(6-7-17-16(14)22)20-12-2-4-13(23)5-3-12/h4-7,9-11,13-17,25,29H,2-3,8,12H2,1H3;4,7-8,10-11,13-16,24,27H,5-6,9,12H2,1-3H3;4-12,22H,1-3H3;2-10,20,23H,1H3
• InChIKey: BWCRJAPFDQGLBI-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 308.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1495.79
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol?

The IUPAC name of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol (CID 157480661) is 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol.

What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol?

The canonical SMILES for 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol is CN(C)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.CN(C)c1cccc(Nc2ccnc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(-n5ccnc5)cc4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4ccc(O)cc4)ccnc23)cn1.

What is the InChIKey of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol?

The InChIKey is BWCRJAPFDQGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9.C23H28N8.C18H19N7.C16H14N6O/c1-31-15-18(13-27-31)21-14-28-33-23(11-22(30-24(21)33)17-3-2-8-25-12-17)29-19-4-6-20(7-5-19)32-10-9-26-16-32;1-29(2)19-8-4-7-18(10-19)27-22-11-21(16-6-5-9-24-12-16)28-23-20(14-26-31(22)23)17-13-25-30(3)15-17;1-23(2)15-6-4-5-14(9-15)22-17-7-8-19-18-16(11-21-25(17)18)13-10-20-24(3)12-13;1-21-10-11(8-18-21)14-9-19-22-15(6-7-17-16(14)22)20-12-2-4-13(23)5-3-12/h4-7,9-11,13-17,25,29H,2-3,8,12H2,1H3;4,7-8,10-11,13-16,24,27H,5-6,9,12H2,1-3H3;4-12,22H,1-3H3;2-10,20,23H,1H3.

What are the key properties of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol?

3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol has a molecular weight of 1495.79 g/mol, XLogP of 12.45, 17 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol is sourced from PubChem (CID 157480661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).