N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C118H91F27N24O8S2 — CID 159994246

About N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 159994246) has the molecular formula C118H91F27N24O8S2 and a molecular weight of 2550.27 g/mol. Its IUPAC name is N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 159994246
• Molecular Formula: C118H91F27N24O8S2
• Molecular Weight: 2550.27 g/mol
• Exact Mass: 2548.65
• IUPAC Name: N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• SMILES: C=S(C)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.CS(=O)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.Cc1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2N)cc1.Cc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C(F)(F)F)cc2)cc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1)c1cccnc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCCCC1
• InChI: InChI=1S/C22H16F3N5O2S.C21H14F3N5O.C20H15F6N3O2S.C19H14F6N4O.C19H16F3N3O.C17H16F6N4O/c1-33(32)21-17(5-3-11-27-21)20(31)28-15-6-8-16(9-7-15)30-19(22(23,24)25)12-18(29-30)14-4-2-10-26-13-14;22-21(23,24)19-12-18(14-7-10-25-11-8-14)29(28-19)17-5-3-16(4-6-17)27-20(30)15-2-1-9-26-13-15;1-32(2,31)15-5-3-4-12(10-15)18(30)27-13-6-8-14(9-7-13)29-17(20(24,25)26)11-16(28-29)19(21,22)23;1-10-2-4-11(5-3-10)17(30)27-14-7-6-12(8-13(14)26)29-16(19(23,24)25)9-15(28-29)18(20,21)22;1-12-3-5-14(6-4-12)18(26)23-15-7-9-16(10-8-15)25-17(19(20,21)22)11-13(2)24-25;18-16(19,20)13-10-14(17(21,22)23)27(25-13)12-6-4-11(5-7-12)24-15(28)26-8-2-1-3-9-26/h2-13H,1H3,(H,28,31);1-13H,(H,27,30);3-11H,1H2,2H3,(H,27,30);2-9H,26H2,1H3,(H,27,30);3-11H,1-2H3,(H,23,26);4-7,10H,1-3,8-9H2,(H,24,28)
• InChIKey: OHILRJDGVGYGNH-UHFFFAOYSA-N
• XLogP: 28.55
• TPSA: 396.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2550.27
LogP ≤ 5	28.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 159994246) is N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is C=S(C)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.CS(=O)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.Cc1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2N)cc1.Cc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C(F)(F)F)cc2)cc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1)c1cccnc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCCCC1.

What is the InChIKey of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is OHILRJDGVGYGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2S.C21H14F3N5O.C20H15F6N3O2S.C19H14F6N4O.C19H16F3N3O.C17H16F6N4O/c1-33(32)21-17(5-3-11-27-21)20(31)28-15-6-8-16(9-7-15)30-19(22(23,24)25)12-18(29-30)14-4-2-10-26-13-14;22-21(23,24)19-12-18(14-7-10-25-11-8-14)29(28-19)17-5-3-16(4-6-17)27-20(30)15-2-1-9-26-13-15;1-32(2,31)15-5-3-4-12(10-15)18(30)27-13-6-8-14(9-7-13)29-17(20(24,25)26)11-16(28-29)19(21,22)23;1-10-2-4-11(5-3-10)17(30)27-14-7-6-12(8-13(14)26)29-16(19(23,24)25)9-15(28-29)18(20,21)22;1-12-3-5-14(6-4-12)18(26)23-15-7-9-16(10-8-15)25-17(19(20,21)22)11-13(2)24-25;18-16(19,20)13-10-14(17(21,22)23)27(25-13)12-6-4-11(5-7-12)24-15(28)26-8-2-1-3-9-26/h2-13H,1H3,(H,28,31);1-13H,(H,27,30);3-11H,1H2,2H3,(H,27,30);2-9H,26H2,1H3,(H,27,30);3-11H,1-2H3,(H,23,26);4-7,10H,1-3,8-9H2,(H,24,28).

What are the key properties of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 2550.27 g/mol, XLogP of 28.55, 21 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 159994246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).