3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
C78H64Cl10F6N20O8 — CID 158103981
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C.CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cl)nn1-c1ncccc1C.Cc1cccnc1-n1nc(C(F)(F)F)cc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NC(C)C.Cc1cccnc1-n1nc(Cl)cc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NC(C)C
InChIInChI=1S/C21H18Cl2F3N5O2.C20H18Cl3N5O2.C19H14Cl2F3N5O2.C18H14Cl3N5O2/c1-10(2)28-19(32)13-7-12(22)8-14(23)17(13)29-20(33)15-9-16(21(24,25)26)30-31(15)18-11(3)5-4-6-27-18;1-10(2)25-19(29)13-7-12(21)8-14(22)17(13)26-20(30)15-9-16(23)27-28(15)18-11(3)5-4-6-24-18;1-9-4-3-5-26-16(9)29-13(8-14(28-29)19(22,23)24)18(31)27-15-11(17(30)25-2)6-10(20)7-12(15)21;1-9-4-3-5-23-16(9)26-13(8-14(21)25-26)18(28)24-15-11(17(27)22-2)6-10(19)7-12(15)20/h4-10H,1-3H3,(H,28,32)(H,29,33);4-10H,1-3H3,(H,25,29)(H,26,30);3-8H,1-2H3,(H,25,30)(H,27,31);3-8H,1-2H3,(H,22,27)(H,24,28)
InChIKeyFPPLQQAWRYKWNZ-UHFFFAOYSA-N
MW1878.02 g/mol
LogP18.88
Rot. Bonds18
About 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 158103981) has the molecular formula C78H64Cl10F6N20O8 and a molecular weight of 1878.02 g/mol. Its IUPAC name is 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
Molecular Properties
| Compound Name | 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide |
|---|---|
| PubChem CID | 158103981 |
| Molecular Formula | C78H64Cl10F6N20O8 |
| Molecular Weight | 1878.02 g/mol |
| Exact Mass | 1872.20 |
| IUPAC Name | 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide |
| SMILES | CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C.CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cl)nn1-c1ncccc1C.Cc1cccnc1-n1nc(C(F)(F)F)cc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NC(C)C.Cc1cccnc1-n1nc(Cl)cc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NC(C)C |
| InChI | InChI=1S/C21H18Cl2F3N5O2.C20H18Cl3N5O2.C19H14Cl2F3N5O2.C18H14Cl3N5O2/c1-10(2)28-19(32)13-7-12(22)8-14(23)17(13)29-20(33)15-9-16(21(24,25)26)30-31(15)18-11(3)5-4-6-27-18;1-10(2)25-19(29)13-7-12(21)8-14(22)17(13)26-20(30)15-9-16(23)27-28(15)18-11(3)5-4-6-24-18;1-9-4-3-5-26-16(9)29-13(8-14(28-29)19(22,23)24)18(31)27-15-11(17(30)25-2)6-10(20)7-12(15)21;1-9-4-3-5-23-16(9)26-13(8-14(21)25-26)18(28)24-15-11(17(27)22-2)6-10(19)7-12(15)20/h4-10H,1-3H3,(H,28,32)(H,29,33);4-10H,1-3H3,(H,25,29)(H,26,30);3-8H,1-2H3,(H,25,30)(H,27,31);3-8H,1-2H3,(H,22,27)(H,24,28) |
| InChIKey | FPPLQQAWRYKWNZ-UHFFFAOYSA-N |
| XLogP | 18.88 |
| TPSA | 355.64 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 122 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1878.02 |
| LogP ≤ 5 | 18.88 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 158103981) is 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C.CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cl)nn1-c1ncccc1C.Cc1cccnc1-n1nc(C(F)(F)F)cc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NC(C)C.Cc1cccnc1-n1nc(Cl)cc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NC(C)C.
What is the InChIKey of 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is FPPLQQAWRYKWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F3N5O2.C20H18Cl3N5O2.C19H14Cl2F3N5O2.C18H14Cl3N5O2/c1-10(2)28-19(32)13-7-12(22)8-14(23)17(13)29-20(33)15-9-16(21(24,25)26)30-31(15)18-11(3)5-4-6-27-18;1-10(2)25-19(29)13-7-12(21)8-14(22)17(13)26-20(30)15-9-16(23)27-28(15)18-11(3)5-4-6-24-18;1-9-4-3-5-26-16(9)29-13(8-14(28-29)19(22,23)24)18(31)27-15-11(17(30)25-2)6-10(20)7-12(15)21;1-9-4-3-5-23-16(9)26-13(8-14(21)25-26)18(28)24-15-11(17(27)22-2)6-10(19)7-12(15)20/h4-10H,1-3H3,(H,28,32)(H,29,33);4-10H,1-3H3,(H,25,29)(H,26,30);3-8H,1-2H3,(H,25,30)(H,27,31);3-8H,1-2H3,(H,22,27)(H,24,28).
What are the key properties of 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 1878.02 g/mol, XLogP of 18.88, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;3-chloro-N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2,4-dichloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 158103981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158103981 — identifiers, structure, computed properties (public domain)
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