sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial

C114H97Br2F7N32NaO12+ — CID 161267914

About sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial

sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial (PubChem CID 161267914) has the molecular formula C114H97Br2F7N32NaO12+ and a molecular weight of 2423.03 g/mol. Its IUPAC name is sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial.

Molecular Properties

• Compound Name: sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial
• PubChem CID: 161267914
• Molecular Formula: C114H97Br2F7N32NaO12+
• Molecular Weight: 2423.03 g/mol
• Exact Mass: 2419.61
• IUPAC Name: sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial
• SMILES: CC(C=O)C=O.Cc1[nH]nc(C(=O)Cc2cnc3cc(-c4ccc(F)cc4)nn3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3n[nH]c(-c4ccc(F)cc4)c3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1[nH]nc(C(=O)O)c1C.Fc1ccc(-c2cc3ncc(Br)cn3n2)cc1.Nc1cc(-c2ccc(F)cc2)[nH]n1.Nc1cnc2cc(-c3ccc(F)cc3)nn2c1.Nc1cnc2n[nH]c(-c3ccc(F)cc3)c2c1.O=CC(Br)C=O.O=[N+]([O-])c1cnc2n[nH]c(-c3ccc(F)cc3)c2c1.[Na+]
• InChI: InChI=1S/2C19H16FN5O.C12H7BrFN3.C12H7FN4O2.2C12H9FN4.C9H8FN3.2C6H8N2O2.C4H6O2.C3H3BrO2.Na/c1-11-12(2)22-23-19(11)17(26)7-13-9-21-18-8-16(24-25(18)10-13)14-3-5-15(20)6-4-14;1-10-11(2)22-23-17(10)16(26)8-12-7-15-18(24-25-19(15)21-9-12)13-3-5-14(20)6-4-13;13-9-6-15-12-5-11(16-17(12)7-9)8-1-3-10(14)4-2-8;13-8-3-1-7(2-4-8)11-10-5-9(17(18)19)6-14-12(10)16-15-11;13-9-3-1-8(2-4-9)11-5-12-15-6-10(14)7-17(12)16-11;13-8-3-1-7(2-4-8)11-10-5-9(14)6-15-12(10)17-16-11;10-7-3-1-6(2-4-7)8-5-9(11)13-12-8;2*1-3-4(2)7-8-5(3)6(9)10;1-4(2-5)3-6;4-3(1-5)2-6;/h3-6,8-10H,7H2,1-2H3,(H,22,23);3-7,9H,8H2,1-2H3,(H,22,23)(H,21,24,25);1-7H;1-6H,(H,14,15,16);1-7H,14H2;1-6H,14H2,(H,15,16,17);1-5H,(H3,11,12,13);2*1-2H3,(H,7,8)(H,9,10);2-4H,1H3;1-3H;/q;;;;;;;;;;;+1
• InChIKey: FXQSGKCLKJJGLP-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 656.90 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.03
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial?

The IUPAC name of sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial (CID 161267914) is sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial.

What is the SMILES notation for sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial?

The canonical SMILES for sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial is CC(C=O)C=O.Cc1[nH]nc(C(=O)Cc2cnc3cc(-c4ccc(F)cc4)nn3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3n[nH]c(-c4ccc(F)cc4)c3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1[nH]nc(C(=O)O)c1C.Fc1ccc(-c2cc3ncc(Br)cn3n2)cc1.Nc1cc(-c2ccc(F)cc2)[nH]n1.Nc1cnc2cc(-c3ccc(F)cc3)nn2c1.Nc1cnc2n[nH]c(-c3ccc(F)cc3)c2c1.O=CC(Br)C=O.O=[N+]([O-])c1cnc2n[nH]c(-c3ccc(F)cc3)c2c1.[Na+].

What is the InChIKey of sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial?

The InChIKey is FXQSGKCLKJJGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16FN5O.C12H7BrFN3.C12H7FN4O2.2C12H9FN4.C9H8FN3.2C6H8N2O2.C4H6O2.C3H3BrO2.Na/c1-11-12(2)22-23-19(11)17(26)7-13-9-21-18-8-16(24-25(18)10-13)14-3-5-15(20)6-4-14;1-10-11(2)22-23-17(10)16(26)8-12-7-15-18(24-25-19(15)21-9-12)13-3-5-14(20)6-4-13;13-9-6-15-12-5-11(16-17(12)7-9)8-1-3-10(14)4-2-8;13-8-3-1-7(2-4-8)11-10-5-9(17(18)19)6-14-12(10)16-15-11;13-9-3-1-8(2-4-9)11-5-12-15-6-10(14)7-17(12)16-11;13-8-3-1-7(2-4-8)11-10-5-9(14)6-15-12(10)17-16-11;10-7-3-1-6(2-4-7)8-5-9(11)13-12-8;2*1-3-4(2)7-8-5(3)6(9)10;1-4(2-5)3-6;4-3(1-5)2-6;/h3-6,8-10H,7H2,1-2H3,(H,22,23);3-7,9H,8H2,1-2H3,(H,22,23)(H,21,24,25);1-7H;1-6H,(H,14,15,16);1-7H,14H2;1-6H,14H2,(H,15,16,17);1-5H,(H3,11,12,13);2*1-2H3,(H,7,8)(H,9,10);2-4H,1H3;1-3H;/q;;;;;;;;;;;+1.

What are the key properties of sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial?

sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial has a molecular weight of 2423.03 g/mol, XLogP of 17.68, 20 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine;2-bromopropanedial;bis(4,5-dimethyl-1H-pyrazole-3-carboxylic acid);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanone;3-(4-fluorophenyl)-5-nitro-2H-pyrazolo[3,4-b]pyridine;5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine;3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-amine;2-methylpropanedial is sourced from PubChem (CID 161267914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).