(3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine

C56H62F8N8O11 — CID 160677642

About (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine

(3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine (PubChem CID 160677642) has the molecular formula C56H62F8N8O11 and a molecular weight of 1175.14 g/mol. Its IUPAC name is (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

• Compound Name: (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine
• PubChem CID: 160677642
• Molecular Formula: C56H62F8N8O11
• Molecular Weight: 1175.14 g/mol
• Exact Mass: 1174.44
• IUPAC Name: (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine
• SMILES: CC(C)(C)Oc1cc(F)cc(-c2cc(N)nn2C(F)(F)F)c1.COc1cc(OC)cc(N2C[C@H](C(=O)Nc3cc(-c4cc(F)cc(OC(C)(C)C)c4)n(C(F)(F)F)n3)[C@@H](C)C2=O)c1.COc1cc(OC)cc(N2C[C@H](C(=O)O)[C@@H](C)C2=O)c1
• InChI: InChI=1S/C28H30F4N4O5.C14H15F4N3O.C14H17NO5/c1-15-22(14-35(26(15)38)18-10-19(39-5)12-20(11-18)40-6)25(37)33-24-13-23(36(34-24)28(30,31)32)16-7-17(29)9-21(8-16)41-27(2,3)4;1-13(2,3)22-10-5-8(4-9(15)6-10)11-7-12(19)20-21(11)14(16,17)18;1-8-12(14(17)18)7-15(13(8)16)9-4-10(19-2)6-11(5-9)20-3/h7-13,15,22H,14H2,1-6H3,(H,33,34,37);4-7H,1-3H3,(H2,19,20);4-6,8,12H,7H2,1-3H3,(H,17,18)/t15-,22+;;8-,12+/m1.1/s1
• InChIKey: RNSQEDCBMHRLAF-JZHBKJCGSA-N
• XLogP: 10.91
• TPSA: 224.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.14
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine?

The IUPAC name of (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine (CID 160677642) is (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine.

What is the SMILES notation for (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine?

The canonical SMILES for (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine is CC(C)(C)Oc1cc(F)cc(-c2cc(N)nn2C(F)(F)F)c1.COc1cc(OC)cc(N2C[C@H](C(=O)Nc3cc(-c4cc(F)cc(OC(C)(C)C)c4)n(C(F)(F)F)n3)[C@@H](C)C2=O)c1.COc1cc(OC)cc(N2C[C@H](C(=O)O)[C@@H](C)C2=O)c1.

What is the InChIKey of (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine?

The InChIKey is RNSQEDCBMHRLAF-JZHBKJCGSA-N. The full InChI is InChI=1S/C28H30F4N4O5.C14H15F4N3O.C14H17NO5/c1-15-22(14-35(26(15)38)18-10-19(39-5)12-20(11-18)40-6)25(37)33-24-13-23(36(34-24)28(30,31)32)16-7-17(29)9-21(8-16)41-27(2,3)4;1-13(2,3)22-10-5-8(4-9(15)6-10)11-7-12(19)20-21(11)14(16,17)18;1-8-12(14(17)18)7-15(13(8)16)9-4-10(19-2)6-11(5-9)20-3/h7-13,15,22H,14H2,1-6H3,(H,33,34,37);4-7H,1-3H3,(H2,19,20);4-6,8,12H,7H2,1-3H3,(H,17,18)/t15-,22+;;8-,12+/m1.1/s1.

What are the key properties of (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine?

(3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 1175.14 g/mol, XLogP of 10.91, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-(3,5-dimethoxyphenyl)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-1-(3,5-dimethoxyphenyl)-4-methyl-5-oxopyrrolidine-3-carboxylic acid;5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 160677642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).