5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate

C30H27Cl2F2N7O3 — CID 159651560

About 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate

5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate (PubChem CID 159651560) has the molecular formula C30H27Cl2F2N7O3 and a molecular weight of 642.49 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

• Compound Name: 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
• PubChem CID: 159651560
• Molecular Formula: C30H27Cl2F2N7O3
• Molecular Weight: 642.49 g/mol
• Exact Mass: 641.15
• IUPAC Name: 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
• SMILES: CCOC(=O)c1cc(-c2cc(Cl)cnc2C)n(C)n1.Cc1ncc(Cl)cc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C
• InChI: InChI=1S/C17H13ClF2N4O.C13H14ClN3O2/c1-9-11(6-10(18)8-21-9)15-7-14(23-24(15)2)17(25)22-16-12(19)4-3-5-13(16)20;1-4-19-13(18)11-6-12(17(3)16-11)10-5-9(14)7-15-8(10)2/h3-8H,1-2H3,(H,22,25);5-7H,4H2,1-3H3
• InChIKey: MRQCONRKKLBSTF-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 116.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.49
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?

The IUPAC name of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate (CID 159651560) is 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate.

What is the SMILES notation for 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?

The canonical SMILES for 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cc(Cl)cnc2C)n(C)n1.Cc1ncc(Cl)cc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C.

What is the InChIKey of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?

The InChIKey is MRQCONRKKLBSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O.C13H14ClN3O2/c1-9-11(6-10(18)8-21-9)15-7-14(23-24(15)2)17(25)22-16-12(19)4-3-5-13(16)20;1-4-19-13(18)11-6-12(17(3)16-11)10-5-9(14)7-15-8(10)2/h3-8H,1-2H3,(H,22,25);5-7H,4H2,1-3H3.

What are the key properties of 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?

5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 642.49 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-2-methyl-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;ethyl 5-(5-chloro-2-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 159651560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).