5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid

C59H59ClF10N18O7 — CID 159575072

About 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid

5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid (PubChem CID 159575072) has the molecular formula C59H59ClF10N18O7 and a molecular weight of 1357.67 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid
• PubChem CID: 159575072
• Molecular Formula: C59H59ClF10N18O7
• Molecular Weight: 1357.67 g/mol
• Exact Mass: 1356.43
• IUPAC Name: 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid
• SMILES: CN(C)c1c(N)cnn1-c1ccc(F)cc1.CN(C)c1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1N(C)C.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1Cl
• InChI: InChI=1S/C20H21F4N5O.C11H11FN4O2.C11H13FN4.C9H5ClFN3O2.C8H9F3N2O2/c1-12(28-11-18(20(22,23)24)26-13(28)2)17(30)9-14-10-25-29(19(14)27(3)4)16-7-5-15(21)6-8-16;1-14(2)11-10(16(17)18)7-13-15(11)9-5-3-8(12)4-6-9;1-15(2)11-10(13)7-14-16(11)9-5-3-8(12)4-6-9;10-9-8(14(15)16)5-12-13(9)7-3-1-6(11)2-4-7;1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2/h5-8,10-12H,9H2,1-4H3;3-7H,1-2H3;3-7H,13H2,1-2H3;1-5H;3-4H,1-2H3,(H,14,15)
• InChIKey: MIHJYXITBHJWST-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 283.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.67
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'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 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?

The IUPAC name of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid (CID 159575072) is 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid.

What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?

The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid is CN(C)c1c(N)cnn1-c1ccc(F)cc1.CN(C)c1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1N(C)C.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1Cl.

What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?

The InChIKey is MIHJYXITBHJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5O.C11H11FN4O2.C11H13FN4.C9H5ClFN3O2.C8H9F3N2O2/c1-12(28-11-18(20(22,23)24)26-13(28)2)17(30)9-14-10-25-29(19(14)27(3)4)16-7-5-15(21)6-8-16;1-14(2)11-10(16(17)18)7-13-15(11)9-5-3-8(12)4-6-9;1-15(2)11-10(13)7-14-16(11)9-5-3-8(12)4-6-9;10-9-8(14(15)16)5-12-13(9)7-3-1-6(11)2-4-7;1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2/h5-8,10-12H,9H2,1-4H3;3-7H,1-2H3;3-7H,13H2,1-2H3;1-5H;3-4H,1-2H3,(H,14,15).

What are the key properties of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?

5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid has a molecular weight of 1357.67 g/mol, XLogP of 12.05, 15 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-N,N-dimethyl-4-nitropyrazol-5-amine;1-(4-fluorophenyl)-5-N,5-N-dimethylpyrazole-4,5-diamine;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid is sourced from PubChem (CID 159575072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).