3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

C93H93Br5Cl2N26O3S2 — CID 157057737

About 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 157057737) has the molecular formula C93H93Br5Cl2N26O3S2 and a molecular weight of 2157.51 g/mol. Its IUPAC name is 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

• Compound Name: 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
• PubChem CID: 157057737
• Molecular Formula: C93H93Br5Cl2N26O3S2
• Molecular Weight: 2157.51 g/mol
• Exact Mass: 2150.27
• IUPAC Name: 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
• SMILES: Brc1cnn2c(NCc3ccc(C4CSN=N4)cc3)cc(C3CCCCC3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCCC3)nc12.CC.[O-][n+]1cccc(CNc2cc(-c3ccc(Cl)cc3Cl)nc3c(Br)cnn23)c1.[O-][n+]1cccc(CNc2cc(-c3cccs3)nc3c(Br)cnn23)c1.[O-][n+]1cccc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)c1
• InChI: InChI=1S/C21H23BrN6S.C18H12BrCl2N5O.C18H20BrN5O.C18H20BrN5.C16H12BrN5OS.C2H6/c22-17-12-24-28-20(10-18(25-21(17)28)15-4-2-1-3-5-15)23-11-14-6-8-16(9-7-14)19-13-29-27-26-19;19-14-9-23-26-17(22-8-11-2-1-5-25(27)10-11)7-16(24-18(14)26)13-4-3-12(20)6-15(13)21;19-15-11-21-24-17(20-10-13-5-4-8-23(25)12-13)9-16(22-18(15)24)14-6-2-1-3-7-14;19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14;17-12-9-19-22-15(18-8-11-3-1-5-21(23)10-11)7-13(20-16(12)22)14-4-2-6-24-14;1-2/h6-10,12,15,19,23H,1-5,11,13H2;1-7,9-10,22H,8H2;4-5,8-9,11-12,14,20H,1-3,6-7,10H2;4-5,8-10,12,14,21H,1-3,6-7,11H2;1-7,9-10,18H,8H2;1-2H3
• InChIKey: AAYNGRRXMLDDLD-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 329.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2157.51
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?

The IUPAC name of 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (CID 157057737) is 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.

What is the SMILES notation for 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?

The canonical SMILES for 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is Brc1cnn2c(NCc3ccc(C4CSN=N4)cc3)cc(C3CCCCC3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCCC3)nc12.CC.[O-][n+]1cccc(CNc2cc(-c3ccc(Cl)cc3Cl)nc3c(Br)cnn23)c1.[O-][n+]1cccc(CNc2cc(-c3cccs3)nc3c(Br)cnn23)c1.[O-][n+]1cccc(CNc2cc(C3CCCCC3)nc3c(Br)cnn23)c1.

What is the InChIKey of 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?

The InChIKey is AAYNGRRXMLDDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN6S.C18H12BrCl2N5O.C18H20BrN5O.C18H20BrN5.C16H12BrN5OS.C2H6/c22-17-12-24-28-20(10-18(25-21(17)28)15-4-2-1-3-5-15)23-11-14-6-8-16(9-7-14)19-13-29-27-26-19;19-14-9-23-26-17(22-8-11-2-1-5-25(27)10-11)7-16(24-18(14)26)13-4-3-12(20)6-15(13)21;19-15-11-21-24-17(20-10-13-5-4-8-23(25)12-13)9-16(22-18(15)24)14-6-2-1-3-7-14;19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14;17-12-9-19-22-15(18-8-11-3-1-5-21(23)10-11)7-13(20-16(12)22)14-4-2-6-24-14;1-2/h6-10,12,15,19,23H,1-5,11,13H2;1-7,9-10,22H,8H2;4-5,8-9,11-12,14,20H,1-3,6-7,10H2;4-5,8-10,12,14,21H,1-3,6-7,11H2;1-7,9-10,18H,8H2;1-2H3.

What are the key properties of 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?

3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 2157.51 g/mol, XLogP of 23.84, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-cyclohexyl-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 157057737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).