2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione

C108H90F6N18O9 — CID 162151613

About 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione

2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione (PubChem CID 162151613) has the molecular formula C108H90F6N18O9 and a molecular weight of 1898.01 g/mol. Its IUPAC name is 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione
• PubChem CID: 162151613
• Molecular Formula: C108H90F6N18O9
• Molecular Weight: 1898.01 g/mol
• Exact Mass: 1896.70
• IUPAC Name: 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione
• SMILES: Cn1nc(-c2ccc(F)cc2)c(C2CC2)c1N.Cn1nc(-c2ccc(F)cc2)c(C2CC2)c1N1C(=O)c2ccccc2C1=O.Cn1nc(N)c(C2CC2)c1-c1ccc(F)cc1.Cn1nc(N2C(=O)c3ccccc3C2=O)c(C2CC2)c1-c1ccc(F)cc1.Nc1n[nH]c(-c2ccc(F)cc2)c1C1CC1.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1c1n[nH]c(-c2ccc(F)cc2)c1C1CC1
• InChI: InChI=1S/2C21H16FN3O2.C20H14FN3O2.2C13H14FN3.C12H12FN3.C8H4O3/c1-24-18(13-8-10-14(22)11-9-13)17(12-6-7-12)19(23-24)25-20(26)15-4-2-3-5-16(15)21(25)27;1-24-19(25-20(26)15-4-2-3-5-16(15)21(25)27)17(12-6-7-12)18(23-24)13-8-10-14(22)11-9-13;21-13-9-7-12(8-10-13)17-16(11-5-6-11)18(23-22-17)24-19(25)14-3-1-2-4-15(14)20(24)26;1-17-12(9-4-6-10(14)7-5-9)11(8-2-3-8)13(15)16-17;1-17-13(15)11(8-2-3-8)12(16-17)9-4-6-10(14)7-5-9;13-9-5-3-8(4-6-9)11-10(7-1-2-7)12(14)16-15-11;9-7-5-3-1-2-4-6(5)8(10)11-7/h2*2-5,8-12H,6-7H2,1H3;1-4,7-11H,5-6H2,(H,22,23);4-8H,2-3H2,1H3,(H2,15,16);4-8H,2-3,15H2,1H3;3-7H,1-2H2,(H3,14,15,16);1-4H
• InChIKey: ZLHAHQYIVJZLMJ-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 362.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.01
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione?

The IUPAC name of 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione (CID 162151613) is 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione?

The canonical SMILES for 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione is Cn1nc(-c2ccc(F)cc2)c(C2CC2)c1N.Cn1nc(-c2ccc(F)cc2)c(C2CC2)c1N1C(=O)c2ccccc2C1=O.Cn1nc(N)c(C2CC2)c1-c1ccc(F)cc1.Cn1nc(N2C(=O)c3ccccc3C2=O)c(C2CC2)c1-c1ccc(F)cc1.Nc1n[nH]c(-c2ccc(F)cc2)c1C1CC1.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1c1n[nH]c(-c2ccc(F)cc2)c1C1CC1.

What is the InChIKey of 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione?

The InChIKey is ZLHAHQYIVJZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16FN3O2.C20H14FN3O2.2C13H14FN3.C12H12FN3.C8H4O3/c1-24-18(13-8-10-14(22)11-9-13)17(12-6-7-12)19(23-24)25-20(26)15-4-2-3-5-16(15)21(25)27;1-24-19(25-20(26)15-4-2-3-5-16(15)21(25)27)17(12-6-7-12)18(23-24)13-8-10-14(22)11-9-13;21-13-9-7-12(8-10-13)17-16(11-5-6-11)18(23-22-17)24-19(25)14-3-1-2-4-15(14)20(24)26;1-17-12(9-4-6-10(14)7-5-9)11(8-2-3-8)13(15)16-17;1-17-13(15)11(8-2-3-8)12(16-17)9-4-6-10(14)7-5-9;13-9-5-3-8(4-6-9)11-10(7-1-2-7)12(14)16-15-11;9-7-5-3-1-2-4-6(5)8(10)11-7/h2*2-5,8-12H,6-7H2,1H3;1-4,7-11H,5-6H2,(H,22,23);4-8H,2-3H2,1H3,(H2,15,16);4-8H,2-3,15H2,1H3;3-7H,1-2H2,(H3,14,15,16);1-4H.

What are the key properties of 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione?

2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione has a molecular weight of 1898.01 g/mol, XLogP of 20.75, 15 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzofuran-1,3-dione;4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-amine;4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine;2-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione;2-[4-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]isoindole-1,3-dione;4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-amine;2-[4-cyclopropyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 162151613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).