3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole

C72H66BCl3F11N21O12 — CID 157431045

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole (PubChem CID 157431045) has the molecular formula C72H66BCl3F11N21O12 and a molecular weight of 1743.60 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole.

Molecular Properties

• Compound Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole
• PubChem CID: 157431045
• Molecular Formula: C72H66BCl3F11N21O12
• Molecular Weight: 1743.60 g/mol
• Exact Mass: 1741.42
• IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)O.Cc1nn(C2CCN(c3cnn(-c4ccc(F)cc4)c3)C2=O)c(C)c1Cl.Nc1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C18H16ClF4N5O2.C18H17ClFN5O.C9H10ClF3N2O3.C9H6FN3O2.C9H8FN3.C6H6BFO2.C3H3N3O2/c1-10-15(19)16(18(21,22)23)26-28(10)14(6-7-29)17(30)25-12-8-24-27(9-12)13-4-2-11(20)3-5-13;1-11-17(19)12(2)25(22-11)16-7-8-23(18(16)26)15-9-21-24(10-15)14-5-3-13(20)4-6-14;1-4-6(10)7(9(11,12)13)14-15(4)5(2-3-16)8(17)18;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13;8-6-3-1-5(2-4-6)7(9)10;7-6(8)3-1-4-5-2-3/h2-5,8-9,14,29H,6-7H2,1H3,(H,25,30);3-6,9-10,16H,7-8H2,1-2H3;5,16H,2-3H2,1H3,(H,17,18);1-6H;1-6H,11H2;1-4,9-10H;1-2H,(H,4,5)
• InChIKey: BQNQJDQHSJMNBC-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 433.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1743.60
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?

The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole (CID 157431045) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole.

What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?

The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole is Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)O.Cc1nn(C2CCN(c3cnn(-c4ccc(F)cc4)c3)C2=O)c(C)c1Cl.Nc1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.OB(O)c1ccc(F)cc1.

What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?

The InChIKey is BQNQJDQHSJMNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N5O2.C18H17ClFN5O.C9H10ClF3N2O3.C9H6FN3O2.C9H8FN3.C6H6BFO2.C3H3N3O2/c1-10-15(19)16(18(21,22)23)26-28(10)14(6-7-29)17(30)25-12-8-24-27(9-12)13-4-2-11(20)3-5-13;1-11-17(19)12(2)25(22-11)16-7-8-23(18(16)26)15-9-21-24(10-15)14-5-3-13(20)4-6-14;1-4-6(10)7(9(11,12)13)14-15(4)5(2-3-16)8(17)18;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13;8-6-3-1-5(2-4-6)7(9)10;7-6(8)3-1-4-5-2-3/h2-5,8-9,14,29H,6-7H2,1H3,(H,25,30);3-6,9-10,16H,7-8H2,1-2H3;5,16H,2-3H2,1H3,(H,17,18);1-6H;1-6H,11H2;1-4,9-10H;1-2H,(H,4,5).

What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole?

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole has a molecular weight of 1743.60 g/mol, XLogP of 12.42, 18 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-hydroxybutanoic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)pyrazol-4-amine;4-nitro-1H-pyrazole is sourced from PubChem (CID 157431045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).