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

C96H89ClF18N26O13S — CID 161184430

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

5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one (PubChem CID 161184430) has the molecular formula C96H89ClF18N26O13S and a molecular weight of 2224.42 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one.

Molecular Properties

• Compound Name: 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
• PubChem CID: 161184430
• Molecular Formula: C96H89ClF18N26O13S
• Molecular Weight: 2224.42 g/mol
• Exact Mass: 2222.62
• IUPAC Name: 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
• SMILES: Cc1c(N)cnn1-c1ccc(F)cc1.Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1C(CCOS(C)(=O)=O)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2C)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1Cl
• InChI: InChI=1S/C20H21F4N5O4S.C19H19F4N5O2.C19H17F4N5O.C10H8FN3O2.C10H10FN3.C9H5ClFN3O2.C9H9F3N2O2/c1-12-16(10-25-29(12)15-6-4-14(21)5-7-15)27-19(30)17(8-9-33-34(3,31)32)28-11-18(20(22,23)24)26-13(28)2;1-11-15(9-24-28(11)14-5-3-13(20)4-6-14)26-18(30)16(7-8-29)27-10-17(19(21,22)23)25-12(27)2;1-11-16(9-24-28(11)14-5-3-13(20)4-6-14)26-8-7-15(18(26)29)27-10-17(19(21,22)23)25-12(27)2;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;10-9-8(14(15)16)5-12-13(9)7-3-1-6(11)2-4-7;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15/h4-7,10-11,17H,8-9H2,1-3H3,(H,27,30);3-6,9-10,16,29H,7-8H2,1-2H3,(H,26,30);3-6,9-10,15H,7-8H2,1-2H3;2-6H,1H3;2-6H,12H2,1H3;1-5H;4,6H,2-3H2,1H3
• InChIKey: USWYINYNVXBBHS-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 458.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2224.42
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

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

The IUPAC name of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one (CID 161184430) is 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one.

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

The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one is Cc1c(N)cnn1-c1ccc(F)cc1.Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1C(CCOS(C)(=O)=O)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2C)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1Cl.

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

The InChIKey is USWYINYNVXBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5O4S.C19H19F4N5O2.C19H17F4N5O.C10H8FN3O2.C10H10FN3.C9H5ClFN3O2.C9H9F3N2O2/c1-12-16(10-25-29(12)15-6-4-14(21)5-7-15)27-19(30)17(8-9-33-34(3,31)32)28-11-18(20(22,23)24)26-13(28)2;1-11-15(9-24-28(11)14-5-3-13(20)4-6-14)26-18(30)16(7-8-29)27-10-17(19(21,22)23)25-12(27)2;1-11-16(9-24-28(11)14-5-3-13(20)4-6-14)26-8-7-15(18(26)29)27-10-17(19(21,22)23)25-12(27)2;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;10-9-8(14(15)16)5-12-13(9)7-3-1-6(11)2-4-7;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15/h4-7,10-11,17H,8-9H2,1-3H3,(H,27,30);3-6,9-10,16,29H,7-8H2,1-2H3,(H,26,30);3-6,9-10,15H,7-8H2,1-2H3;2-6H,1H3;2-6H,12H2,1H3;1-5H;4,6H,2-3H2,1H3.

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

5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one has a molecular weight of 2224.42 g/mol, XLogP of 19.02, 23 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one is sourced from PubChem (CID 161184430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).