4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide
C103H92F24N18O7 — CID 158760553
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(F)(F)F)cc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2CCO)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)cc1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(C)n2)c1
InChIInChI=1S/C20H15F6N3O.C20H18F3N3O.C19H16F3N3O.C15H13F6N3O.C15H16F3N3O2.C14H14F3N3O/c1-28(2)18(30)13-5-3-12(4-6-13)16-11-17(20(24,25)26)27-29(16)15-9-7-14(8-10-15)19(21,22)23;1-25(2)19(27)16-10-8-15(9-11-16)17-12-18(20(21,22)23)24-26(17)13-14-6-4-3-5-7-14;1-24(2)18(26)14-10-8-13(9-11-14)16-12-17(19(20,21)22)23-25(16)15-6-4-3-5-7-15;1-23(2)13(25)10-5-3-9(4-6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18;1-20(2)14(23)11-5-3-10(4-6-11)12-9-13(15(16,17)18)19-21(12)7-8-22;1-19(2)13(21)10-6-4-5-9(7-10)11-8-12(14(15,16)17)20(3)18-11/h3-11H,1-2H3;3-12H,13H2,1-2H3;3-12H,1-2H3;3-7H,8H2,1-2H3;3-6,9,22H,7-8H2,1-2H3;4-8H,1-3H3
InChIKeyIOPOAIBDKYVDQQ-UHFFFAOYSA-N
MW2149.94 g/mol
LogP22.76
Rot. Bonds19
About 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide (PubChem CID 158760553) has the molecular formula C103H92F24N18O7 and a molecular weight of 2149.94 g/mol. Its IUPAC name is 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide.
Molecular Properties
| Compound Name | 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide |
|---|---|
| PubChem CID | 158760553 |
| Molecular Formula | C103H92F24N18O7 |
| Molecular Weight | 2149.94 g/mol |
| Exact Mass | 2148.70 |
| IUPAC Name | 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide |
| SMILES | CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(F)(F)F)cc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2CCO)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)cc1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(C)n2)c1 |
| InChI | InChI=1S/C20H15F6N3O.C20H18F3N3O.C19H16F3N3O.C15H13F6N3O.C15H16F3N3O2.C14H14F3N3O/c1-28(2)18(30)13-5-3-12(4-6-13)16-11-17(20(24,25)26)27-29(16)15-9-7-14(8-10-15)19(21,22)23;1-25(2)19(27)16-10-8-15(9-11-16)17-12-18(20(21,22)23)24-26(17)13-14-6-4-3-5-7-14;1-24(2)18(26)14-10-8-13(9-11-14)16-12-17(19(20,21)22)23-25(16)15-6-4-3-5-7-15;1-23(2)13(25)10-5-3-9(4-6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18;1-20(2)14(23)11-5-3-10(4-6-11)12-9-13(15(16,17)18)19-21(12)7-8-22;1-19(2)13(21)10-6-4-5-9(7-10)11-8-12(14(15,16)17)20(3)18-11/h3-11H,1-2H3;3-12H,13H2,1-2H3;3-12H,1-2H3;3-7H,8H2,1-2H3;3-6,9,22H,7-8H2,1-2H3;4-8H,1-3H3 |
| InChIKey | IOPOAIBDKYVDQQ-UHFFFAOYSA-N |
| XLogP | 22.76 |
| TPSA | 249.01 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 152 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2149.94 |
| LogP ≤ 5 | 22.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 19 |
Frequently Asked Questions
What is the IUPAC name of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide (CID 158760553) is 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(F)(F)F)cc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2CCO)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)cc1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(C)n2)c1.
What is the InChIKey of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide?
The InChIKey is IOPOAIBDKYVDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O.C20H18F3N3O.C19H16F3N3O.C15H13F6N3O.C15H16F3N3O2.C14H14F3N3O/c1-28(2)18(30)13-5-3-12(4-6-13)16-11-17(20(24,25)26)27-29(16)15-9-7-14(8-10-15)19(21,22)23;1-25(2)19(27)16-10-8-15(9-11-16)17-12-18(20(21,22)23)24-26(17)13-14-6-4-3-5-7-14;1-24(2)18(26)14-10-8-13(9-11-14)16-12-17(19(20,21)22)23-25(16)15-6-4-3-5-7-15;1-23(2)13(25)10-5-3-9(4-6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18;1-20(2)14(23)11-5-3-10(4-6-11)12-9-13(15(16,17)18)19-21(12)7-8-22;1-19(2)13(21)10-6-4-5-9(7-10)11-8-12(14(15,16)17)20(3)18-11/h3-11H,1-2H3;3-12H,13H2,1-2H3;3-12H,1-2H3;3-7H,8H2,1-2H3;3-6,9,22H,7-8H2,1-2H3;4-8H,1-3H3.
What are the key properties of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide?
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide has a molecular weight of 2149.94 g/mol, XLogP of 22.76, 19 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 158760553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158760553 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.