1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid

C93H71F2N19O3 — CID 159547604

About 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid

1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid (PubChem CID 159547604) has the molecular formula C93H71F2N19O3 and a molecular weight of 1540.72 g/mol. Its IUPAC name is 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
• PubChem CID: 159547604
• Molecular Formula: C93H71F2N19O3
• Molecular Weight: 1540.72 g/mol
• Exact Mass: 1539.60
• IUPAC Name: 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
• SMILES: Nc1c(-c2ccc3ccccc3c2)nn(Cc2ccccc2)c1N.Nc1c(N=O)c(-c2ccc3ccccc3c2)nn1Cc1ccccc1.O=C(O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.[C-]#[N+]c1cc2c(/C=C/c3cccc(F)c3)nn(C)c2cn1.c1ccc(Cn2nc(-c3ccc4ccccc4c3)c3nccnc32)cc1
• InChI: InChI=1S/C22H16N4.C20H16N4O.C20H18N4.C16H11FN4.C15H10FN3O2/c1-2-6-16(7-3-1)15-26-22-21(23-12-13-24-22)20(25-26)19-11-10-17-8-4-5-9-18(17)14-19;21-20-19(23-25)18(22-24(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17;21-18-19(17-11-10-15-8-4-5-9-16(15)12-17)23-24(20(18)22)13-14-6-2-1-3-7-14;1-18-16-9-13-14(20-21(2)15(13)10-19-16)7-6-11-4-3-5-12(17)8-11;16-10-3-1-2-9(6-10)4-5-12-11-7-13(15(20)21)17-8-14(11)19-18-12/h1-14H,15H2;1-12H,13,21H2;1-12H,13,21-22H2;3-10H,2H3;1-8H,(H,18,19)(H,20,21)/b;;;7-6+;5-4+
• InChIKey: MEZLOICVSPSPSB-BRZXGPOESA-N
• XLogP: 20.14
• TPSA: 300.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.72
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?

The IUPAC name of 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid (CID 159547604) is 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid.

What is the SMILES notation for 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?

The canonical SMILES for 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid is Nc1c(-c2ccc3ccccc3c2)nn(Cc2ccccc2)c1N.Nc1c(N=O)c(-c2ccc3ccccc3c2)nn1Cc1ccccc1.O=C(O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.[C-]#[N+]c1cc2c(/C=C/c3cccc(F)c3)nn(C)c2cn1.c1ccc(Cn2nc(-c3ccc4ccccc4c3)c3nccnc32)cc1.

What is the InChIKey of 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?

The InChIKey is MEZLOICVSPSPSB-BRZXGPOESA-N. The full InChI is InChI=1S/C22H16N4.C20H16N4O.C20H18N4.C16H11FN4.C15H10FN3O2/c1-2-6-16(7-3-1)15-26-22-21(23-12-13-24-22)20(25-26)19-11-10-17-8-4-5-9-18(17)14-19;21-20-19(23-25)18(22-24(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17;21-18-19(17-11-10-15-8-4-5-9-16(15)12-17)23-24(20(18)22)13-14-6-2-1-3-7-14;1-18-16-9-13-14(20-21(2)15(13)10-19-16)7-6-11-4-3-5-12(17)8-11;16-10-3-1-2-9(6-10)4-5-12-11-7-13(15(20)21)17-8-14(11)19-18-12/h1-14H,15H2;1-12H,13,21H2;1-12H,13,21-22H2;3-10H,2H3;1-8H,(H,18,19)(H,20,21)/b;;;7-6+;5-4+.

What are the key properties of 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid?

1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid has a molecular weight of 1540.72 g/mol, XLogP of 20.14, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-naphthalen-2-yl-4-nitrosopyrazol-5-amine;1-benzyl-3-naphthalen-2-ylpyrazole-4,5-diamine;1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine;3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1-methylpyrazolo[3,4-c]pyridine;3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 159547604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).