dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine

C104H98Br2Cs2N30O10 — CID 160802852

About dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine

dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 160802852) has the molecular formula C104H98Br2Cs2N30O10 and a molecular weight of 2353.75 g/mol. Its IUPAC name is dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine
• PubChem CID: 160802852
• Molecular Formula: C104H98Br2Cs2N30O10
• Molecular Weight: 2353.75 g/mol
• Exact Mass: 2350.46
• IUPAC Name: dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine
• SMILES: COc1ccc(CNc2nc3cc(-n4cccn4)ccc3c3nn(Cc4ccc(OC)cc4)cc23)cc1.COc1ccc(CNc2nc3cc(Br)ccc3c3nn(Cc4ccc(OC)cc4)cc23)cc1.Nc1nc2cc(-n3cccn3)ccc2c2[nH]ncc12.Nc1nc2cc(-n3cccn3)ccc2c2c1cnn2CCO.Nc1nc2cc(-n3cccn3)ccc2c2nn(CCO)cc12.O=CO[O-].OCCBr.[Cs+].[Cs+].[H-].c1cn[nH]c1
• InChI: InChI=1S/C29H26N6O2.C26H23BrN4O2.2C15H14N6O.C13H10N6.C3H4N2.C2H5BrO.CH2O3.2Cs.H/c1-36-23-9-4-20(5-10-23)17-30-29-26-19-34(18-21-6-11-24(37-2)12-7-21)33-28(26)25-13-8-22(16-27(25)32-29)35-15-3-14-31-35;1-32-20-8-3-17(4-9-20)14-28-26-23-16-31(15-18-5-10-21(33-2)11-6-18)30-25(23)22-12-7-19(27)13-24(22)29-26;16-15-12-9-20(6-7-22)19-14(12)11-3-2-10(8-13(11)18-15)21-5-1-4-17-21;16-15-12-9-18-21(6-7-22)14(12)11-3-2-10(8-13(11)19-15)20-5-1-4-17-20;14-13-10-7-15-18-12(10)9-3-2-8(6-11(9)17-13)19-5-1-4-16-19;1-2-4-5-3-1;3-1-2-4;2-1-4-3;;;/h3-16,19H,17-18H2,1-2H3,(H,30,32);3-13,16H,14-15H2,1-2H3,(H,28,29);1-5,8-9,22H,6-7H2,(H2,16,18);1-5,8-9,22H,6-7H2,(H2,16,19);1-7H,(H2,14,17)(H,15,18);1-3H,(H,4,5);4H,1-2H2;1,3H;;;/q;;;;;;;;2*+1;-1/p-1
• InChIKey: ZNPDALQXFMZMTQ-UHFFFAOYSA-M
• XLogP: 9.38
• TPSA: 513.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.75
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?

The IUPAC name of dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 160802852) is dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine.

What is the SMILES notation for dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?

The canonical SMILES for dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine is COc1ccc(CNc2nc3cc(-n4cccn4)ccc3c3nn(Cc4ccc(OC)cc4)cc23)cc1.COc1ccc(CNc2nc3cc(Br)ccc3c3nn(Cc4ccc(OC)cc4)cc23)cc1.Nc1nc2cc(-n3cccn3)ccc2c2[nH]ncc12.Nc1nc2cc(-n3cccn3)ccc2c2c1cnn2CCO.Nc1nc2cc(-n3cccn3)ccc2c2nn(CCO)cc12.O=CO[O-].OCCBr.[Cs+].[Cs+].[H-].c1cn[nH]c1.

What is the InChIKey of dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?

The InChIKey is ZNPDALQXFMZMTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H26N6O2.C26H23BrN4O2.2C15H14N6O.C13H10N6.C3H4N2.C2H5BrO.CH2O3.2Cs.H/c1-36-23-9-4-20(5-10-23)17-30-29-26-19-34(18-21-6-11-24(37-2)12-7-21)33-28(26)25-13-8-22(16-27(25)32-29)35-15-3-14-31-35;1-32-20-8-3-17(4-9-20)14-28-26-23-16-31(15-18-5-10-21(33-2)11-6-18)30-25(23)22-12-7-19(27)13-24(22)29-26;16-15-12-9-20(6-7-22)19-14(12)11-3-2-10(8-13(11)18-15)21-5-1-4-17-21;16-15-12-9-18-21(6-7-22)14(12)11-3-2-10(8-13(11)19-15)20-5-1-4-17-20;14-13-10-7-15-18-12(10)9-3-2-8(6-11(9)17-13)19-5-1-4-16-19;1-2-4-5-3-1;3-1-2-4;2-1-4-3;;;/h3-16,19H,17-18H2,1-2H3,(H,30,32);3-13,16H,14-15H2,1-2H3,(H,28,29);1-5,8-9,22H,6-7H2,(H2,16,18);1-5,8-9,22H,6-7H2,(H2,16,19);1-7H,(H2,14,17)(H,15,18);1-3H,(H,4,5);4H,1-2H2;1,3H;;;/q;;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?

dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 2353.75 g/mol, XLogP of 9.38, 24 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 160802852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).