1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid

C124H94F36N26O15 — CID 162012722

About 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid

1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid (PubChem CID 162012722) has the molecular formula C124H94F36N26O15 and a molecular weight of 2872.21 g/mol. Its IUPAC name is 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid
• PubChem CID: 162012722
• Molecular Formula: C124H94F36N26O15
• Molecular Weight: 2872.21 g/mol
• Exact Mass: 2870.68
• IUPAC Name: 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid
• SMILES: CC(=O)c1ccc(C(F)(F)F)cc1C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(N)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc([N+](=O)[O-])cn1.C[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.Cc1cc(C(F)(F)F)ccc1C(C)O.O=C(O)c1cc(-c2ccccn2)on1.O=[N+]([O-])c1cn[nH]c1
• InChI: InChI=1S/3C22H15F6N5O2.C13H9F6N3O2.C13H11F6N3.C10H11F3O.C10H9F3O.C9H6N2O3.C3H3N3O2/c3*1-12(15-6-5-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(10-30-33)31-20(34)18-9-19(35-32-18)17-4-2-3-7-29-17;1-7(21-6-9(5-20-21)22(23)24)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;1-7(22-6-9(20)5-21-22)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;2*1-6-5-8(10(11,12)13)3-4-9(6)7(2)14;12-9(13)7-5-8(14-11-7)6-3-1-2-4-10-6;7-6(8)3-1-4-5-2-3/h3*2-12H,1H3,(H,31,34);2-7H,1H3;2-7H,20H2,1H3;3-5,7,14H,1-2H3;3-5H,1-2H3;1-5H,(H,12,13);1-2H,(H,4,5)/t2*12-;;;;;;;/m10......./s1
• InChIKey: YTRMCIPRWUVBAL-KYPPZFHSSA-N
• XLogP: 34.08
• TPSA: 547.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2872.21
LogP ≤ 5	34.08
H-Bond Donors ≤ 5	7
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'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid (CID 162012722) is 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid is CC(=O)c1ccc(C(F)(F)F)cc1C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(N)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc([N+](=O)[O-])cn1.C[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.Cc1cc(C(F)(F)F)ccc1C(C)O.O=C(O)c1cc(-c2ccccn2)on1.O=[N+]([O-])c1cn[nH]c1.

What is the InChIKey of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid?

The InChIKey is YTRMCIPRWUVBAL-KYPPZFHSSA-N. The full InChI is InChI=1S/3C22H15F6N5O2.C13H9F6N3O2.C13H11F6N3.C10H11F3O.C10H9F3O.C9H6N2O3.C3H3N3O2/c3*1-12(15-6-5-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(10-30-33)31-20(34)18-9-19(35-32-18)17-4-2-3-7-29-17;1-7(21-6-9(5-20-21)22(23)24)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;1-7(22-6-9(20)5-21-22)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;2*1-6-5-8(10(11,12)13)3-4-9(6)7(2)14;12-9(13)7-5-8(14-11-7)6-3-1-2-4-10-6;7-6(8)3-1-4-5-2-3/h3*2-12H,1H3,(H,31,34);2-7H,1H3;2-7H,20H2,1H3;3-5,7,14H,1-2H3;3-5H,1-2H3;1-5H,(H,12,13);1-2H,(H,4,5)/t2*12-;;;;;;;/m10......./s1.

What are the key properties of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid?

1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid has a molecular weight of 2872.21 g/mol, XLogP of 34.08, 25 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 162012722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).