N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine

C104H119F12N21O12 — CID 162228838

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine

N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 162228838) has the molecular formula C104H119F12N21O12 and a molecular weight of 2083.21 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

• Compound Name: N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine
• PubChem CID: 162228838
• Molecular Formula: C104H119F12N21O12
• Molecular Weight: 2083.21 g/mol
• Exact Mass: 2081.92
• IUPAC Name: N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2N)CC1.CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)O)CC1.Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccc(C(F)(F)F)cc3N)CC2)n1.Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C3=Nc4cc(C(F)(F)F)ccc4C3)CC2)n1.Cc1cc(C)n(CC(=O)O)n1.Nc1ccc(C(F)(F)F)cc1N
• InChI: InChI=1S/C26H26F3N5O.C25H27F3N6O2.C23H27F3N4O3.C16H22N2O4.C7H7F3N2.C7H10N2O2/c1-17-13-18(2)34(31-17)16-25(35)33-11-9-32(10-12-33)24-6-4-3-5-21(24)23-14-19-7-8-20(26(27,28)29)15-22(19)30-23;1-16-13-17(2)34(31-16)15-23(35)33-11-9-32(10-12-33)22-6-4-3-5-19(22)24(36)30-21-8-7-18(14-20(21)29)25(26,27)28;1-22(2,3)33-21(32)30-12-10-29(11-13-30)19-7-5-4-6-16(19)20(31)28-18-9-8-15(14-17(18)27)23(24,25)26;1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-7-5-4-6-12(13)14(19)20;8-7(9,10)4-1-2-5(11)6(12)3-4;1-5-3-6(2)9(8-5)4-7(10)11/h3-8,13,15H,9-12,14,16H2,1-2H3;3-8,13-14H,9-12,15,29H2,1-2H3,(H,30,36);4-9,14H,10-13,27H2,1-3H3,(H,28,31);4-7H,8-11H2,1-3H3,(H,19,20);1-3H,11-12H2;3H,4H2,1-2H3,(H,10,11)
• InChIKey: ZVDBYZMCWGTIQJ-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 415.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2083.21
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine?

The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine (CID 162228838) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine.

What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine?

The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine is CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2N)CC1.CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)O)CC1.Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccc(C(F)(F)F)cc3N)CC2)n1.Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C3=Nc4cc(C(F)(F)F)ccc4C3)CC2)n1.Cc1cc(C)n(CC(=O)O)n1.Nc1ccc(C(F)(F)F)cc1N.

What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine?

The InChIKey is ZVDBYZMCWGTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O.C25H27F3N6O2.C23H27F3N4O3.C16H22N2O4.C7H7F3N2.C7H10N2O2/c1-17-13-18(2)34(31-17)16-25(35)33-11-9-32(10-12-33)24-6-4-3-5-21(24)23-14-19-7-8-20(26(27,28)29)15-22(19)30-23;1-16-13-17(2)34(31-16)15-23(35)33-11-9-32(10-12-33)22-6-4-3-5-19(22)24(36)30-21-8-7-18(14-20(21)29)25(26,27)28;1-22(2,3)33-21(32)30-12-10-29(11-13-30)19-7-5-4-6-16(19)20(31)28-18-9-8-15(14-17(18)27)23(24,25)26;1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-7-5-4-6-12(13)14(19)20;8-7(9,10)4-1-2-5(11)6(12)3-4;1-5-3-6(2)9(8-5)4-7(10)11/h3-8,13,15H,9-12,14,16H2,1-2H3;3-8,13-14H,9-12,15,29H2,1-2H3,(H,30,36);4-9,14H,10-13,27H2,1-3H3,(H,28,31);4-7H,8-11H2,1-3H3,(H,19,20);1-3H,11-12H2;3H,4H2,1-2H3,(H,10,11).

What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine?

N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 2083.21 g/mol, XLogP of 17.74, 16 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide;tert-butyl 4-[2-[[2-amino-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate;2-(3,5-dimethylpyrazol-1-yl)acetic acid;2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-3H-indol-2-yl]phenyl]piperazin-1-yl]ethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 162228838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).