5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole

C75H64ClF12IN20O11 — CID 160778865

IUPAC5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole
SMILESCc1c(N)cnn1-c1ccc(F)cc1.Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Fc1ccc(I)cc1.O=[N+]([O-])C1=CCN=C1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C19H18F4N4O.C10H8FN3O2.C10H10FN3.C9H5ClFN3O2.C9H6FN3O2.C8H9F3N2O2.C6H4FI.C4H4N2O2/c1-11-14(9-24-27(11)16-6-4-15(20)5-7-16)8-17(28)12(2)26-10-18(19(21,22)23)25-13(26)3;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;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;7-5-1-3-6(8)4-2-5;7-6(8)4-1-2-5-3-4/h4-7,9-10,12H,8H2,1-3H3;2-6H,1H3;2-6H,12H2,1H3;1-5H;1-6H;3-4H,1-2H3,(H,14,15);1-4H;1,3H,2H2
InChIKeySAHQASOLHIUVLB-UHFFFAOYSA-N
MW1811.80 g/mol
LogP17.36
Rot. Bonds15

About 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole

5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole (PubChem CID 160778865) has the molecular formula C75H64ClF12IN20O11 and a molecular weight of 1811.80 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole
PubChem CID160778865
Molecular FormulaC75H64ClF12IN20O11
Molecular Weight1811.80 g/mol
Exact Mass1810.36
IUPAC Name5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole
SMILESCc1c(N)cnn1-c1ccc(F)cc1.Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Fc1ccc(I)cc1.O=[N+]([O-])C1=CCN=C1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C19H18F4N4O.C10H8FN3O2.C10H10FN3.C9H5ClFN3O2.C9H6FN3O2.C8H9F3N2O2.C6H4FI.C4H4N2O2/c1-11-14(9-24-27(11)16-6-4-15(20)5-7-16)8-17(28)12(2)26-10-18(19(21,22)23)25-13(26)3;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;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;7-5-1-3-6(8)4-2-5;7-6(8)4-1-2-5-3-4/h4-7,9-10,12H,8H2,1-3H3;2-6H,1H3;2-6H,12H2,1H3;1-5H;1-6H;3-4H,1-2H3,(H,14,15);1-4H;1,3H,2H2
InChIKeySAHQASOLHIUVLB-UHFFFAOYSA-N
XLogP17.36
TPSA390.05 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001811.80
LogP ≤ 517.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole (CID 160778865) is 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole is Cc1c(N)cnn1-c1ccc(F)cc1.Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Fc1ccc(I)cc1.O=[N+]([O-])C1=CCN=C1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1.O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole?
The InChIKey is SAHQASOLHIUVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O.C10H8FN3O2.C10H10FN3.C9H5ClFN3O2.C9H6FN3O2.C8H9F3N2O2.C6H4FI.C4H4N2O2/c1-11-14(9-24-27(11)16-6-4-15(20)5-7-16)8-17(28)12(2)26-10-18(19(21,22)23)25-13(26)3;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;10-7-1-3-8(4-2-7)12-6-9(5-11-12)13(14)15;1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;7-5-1-3-6(8)4-2-5;7-6(8)4-1-2-5-3-4/h4-7,9-10,12H,8H2,1-3H3;2-6H,1H3;2-6H,12H2,1H3;1-5H;1-6H;3-4H,1-2H3,(H,14,15);1-4H;1,3H,2H2.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole?
5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole has a molecular weight of 1811.80 g/mol, XLogP of 17.36, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-(4-fluorophenyl)-4-nitropyrazole;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;4-nitro-2H-pyrrole is sourced from PubChem (CID 160778865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).