5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol

C97H111BrF3N41O — CID 159016704

About 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol

5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol (PubChem CID 159016704) has the molecular formula C97H111BrF3N41O and a molecular weight of 2004.14 g/mol. Its IUPAC name is 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[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: 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol
• PubChem CID: 159016704
• Molecular Formula: C97H111BrF3N41O
• Molecular Weight: 2004.14 g/mol
• Exact Mass: 2001.90
• IUPAC Name: 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol
• SMILES: CCc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.CN(C)c1cccc(Nc2ccnc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CC[C@@H](N)C4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(C(F)(F)F)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc([C@@H]4CC[C@H](N)C4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4ccc(O)cc4)ccnc23)cn1
• InChI: InChI=1S/C18H19N7.C17H23N7.C16H18F3N7.C16H14N6O.C15H18BrN7.C15H19N7/c1-23(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;1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12;1-25-8-10(6-22-25)11-7-23-26-14(20)12(16(17,18)19)13(24-15(11)26)9-3-2-4-21-5-9;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;1-22-7-9(5-19-22)11-6-20-23-14(18)12(16)13(21-15(11)23)8-2-3-10(17)4-8;1-21-8-10(6-18-21)12-7-19-22-14(17)5-13(20-15(12)22)9-2-3-11(16)4-9/h4-12,22H,1-3H3;8-11,19H,3-7,18H2,1-2H3;6-9,21H,2-5,20H2,1H3;2-10,20,23H,1H3;5-8,10H,2-4,17-18H2,1H3;5-9,11H,2-4,16-17H2,1H3/t;;;;8-,10-;9-,11+/m....11/s1
• InChIKey: JTEIZEKYSOMRFE-PTTPDKMASA-N
• XLogP: 12.83
• TPSA: 515.77 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.14
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[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 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol (CID 159016704) is 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[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 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[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 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol is CCc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.CN(C)c1cccc(Nc2ccnc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CC[C@@H](N)C4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(C(F)(F)F)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc([C@@H]4CC[C@H](N)C4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4ccc(O)cc4)ccnc23)cn1.

What is the InChIKey of 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol?

The InChIKey is JTEIZEKYSOMRFE-PTTPDKMASA-N. The full InChI is InChI=1S/C18H19N7.C17H23N7.C16H18F3N7.C16H14N6O.C15H18BrN7.C15H19N7/c1-23(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;1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12;1-25-8-10(6-22-25)11-7-23-26-14(20)12(16(17,18)19)13(24-15(11)26)9-3-2-4-21-5-9;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;1-22-7-9(5-19-22)11-6-20-23-14(18)12(16)13(21-15(11)23)8-2-3-10(17)4-8;1-21-8-10(6-18-21)12-7-19-22-14(17)5-13(20-15(12)22)9-2-3-11(16)4-9/h4-12,22H,1-3H3;8-11,19H,3-7,18H2,1-2H3;6-9,21H,2-5,20H2,1H3;2-10,20,23H,1H3;5-8,10H,2-4,17-18H2,1H3;5-9,11H,2-4,16-17H2,1H3/t;;;;8-,10-;9-,11+/m....11/s1.

What are the key properties of 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol?

5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[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 2004.14 g/mol, XLogP of 12.83, 16 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[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 159016704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).