1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one

C93H89F18N29O11S — CID 159803243

About 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one

1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one (PubChem CID 159803243) has the molecular formula C93H89F18N29O11S and a molecular weight of 2162.96 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one
• PubChem CID: 159803243
• Molecular Formula: C93H89F18N29O11S
• Molecular Weight: 2162.96 g/mol
• Exact Mass: 2161.67
• IUPAC Name: 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one
• SMILES: Cc1c(N)cnn1-c1ccc(F)cc1.Cc1c(N2CCC(n3nc(C(F)(F)F)nc3C)C2=O)cnn1-c1ccc(F)cc1.Cc1c(NC(=O)C(CCO)n2nc(C(F)(F)F)nc2C)cnn1-c1ccc(F)cc1.Cc1c(NC(=O)C(CCOS(C)(=O)=O)n2nc(C(F)(F)F)nc2C)cnn1-c1ccc(F)cc1.Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1ccnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)nn1C1CCOC1=O
• InChI: InChI=1S/C19H20F4N6O4S.C18H18F4N6O2.C18H16F4N6O.C10H8FN3O2.C10H10FN3.C10H9FN2.C8H8F3N3O2/c1-11-15(10-24-28(11)14-6-4-13(20)5-7-14)26-17(30)16(8-9-33-34(3,31)32)29-12(2)25-18(27-29)19(21,22)23;1-10-14(9-23-27(10)13-5-3-12(19)4-6-13)25-16(30)15(7-8-29)28-11(2)24-17(26-28)18(20,21)22;1-10-15(9-23-27(10)13-5-3-12(19)4-6-13)26-8-7-14(16(26)29)28-11(2)24-17(25-28)18(20,21)22;1-7-10(14(15)16)6-12-13(7)9-4-2-8(11)3-5-9;1-7-10(12)6-13-14(7)9-4-2-8(11)3-5-9;1-8-6-7-12-13(8)10-4-2-9(11)3-5-10;1-4-12-7(8(9,10)11)13-14(4)5-2-3-16-6(5)15/h4-7,10,16H,8-9H2,1-3H3,(H,26,30);3-6,9,15,29H,7-8H2,1-2H3,(H,25,30);3-6,9,14H,7-8H2,1-2H3;2-6H,1H3;2-6H,12H2,1H3;2-7H,1H3;5H,2-3H2,1H3
• InChIKey: NKBGHJOPTIUHNT-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 467.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.96
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one?

The IUPAC name of 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one (CID 159803243) is 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one.

What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one?

The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one is Cc1c(N)cnn1-c1ccc(F)cc1.Cc1c(N2CCC(n3nc(C(F)(F)F)nc3C)C2=O)cnn1-c1ccc(F)cc1.Cc1c(NC(=O)C(CCO)n2nc(C(F)(F)F)nc2C)cnn1-c1ccc(F)cc1.Cc1c(NC(=O)C(CCOS(C)(=O)=O)n2nc(C(F)(F)F)nc2C)cnn1-c1ccc(F)cc1.Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1ccnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)nn1C1CCOC1=O.

What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one?

The InChIKey is NKBGHJOPTIUHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N6O4S.C18H18F4N6O2.C18H16F4N6O.C10H8FN3O2.C10H10FN3.C10H9FN2.C8H8F3N3O2/c1-11-15(10-24-28(11)14-6-4-13(20)5-7-14)26-17(30)16(8-9-33-34(3,31)32)29-12(2)25-18(27-29)19(21,22)23;1-10-14(9-23-27(10)13-5-3-12(19)4-6-13)25-16(30)15(7-8-29)28-11(2)24-17(26-28)18(20,21)22;1-10-15(9-23-27(10)13-5-3-12(19)4-6-13)26-8-7-14(16(26)29)28-11(2)24-17(25-28)18(20,21)22;1-7-10(14(15)16)6-12-13(7)9-4-2-8(11)3-5-9;1-7-10(12)6-13-14(7)9-4-2-8(11)3-5-9;1-8-6-7-12-13(8)10-4-2-9(11)3-5-10;1-4-12-7(8(9,10)11)13-14(4)5-2-3-16-6(5)15/h4-7,10,16H,8-9H2,1-3H3,(H,26,30);3-6,9,15,29H,7-8H2,1-2H3,(H,25,30);3-6,9,14H,7-8H2,1-2H3;2-6H,1H3;2-6H,12H2,1H3;2-7H,1H3;5H,2-3H2,1H3.

What are the key properties of 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one?

1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one has a molecular weight of 2162.96 g/mol, XLogP of 16.35, 22 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one is sourced from PubChem (CID 159803243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).