3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C82H64Br2F10N24O8 — CID 157387740

About 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 157387740) has the molecular formula C82H64Br2F10N24O8 and a molecular weight of 1863.36 g/mol. Its IUPAC name is 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 157387740
• Molecular Formula: C82H64Br2F10N24O8
• Molecular Weight: 1863.36 g/mol
• Exact Mass: 1860.35
• IUPAC Name: 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: [C-]#[N+]c1cc(C)c(NC(=O)c2cc(Br)nn2-c2ncccc2F)c(C(=O)NC(C)C)c1.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(Br)nn2-c2ncccc2F)c(C(=O)NC)c1.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2F)c(C(=O)NC(C)C)c1.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2F)c(C(=O)NC)c1
• InChI: InChI=1S/C22H18F4N6O2.C21H18BrFN6O2.C20H14F4N6O2.C19H14BrFN6O2/c1-11(2)29-20(33)14-9-13(27-4)8-12(3)18(14)30-21(34)16-10-17(22(24,25)26)31-32(16)19-15(23)6-5-7-28-19;1-11(2)26-20(30)14-9-13(24-4)8-12(3)18(14)27-21(31)16-10-17(22)28-29(16)19-15(23)6-5-7-25-19;1-10-7-11(25-2)8-12(18(31)26-3)16(10)28-19(32)14-9-15(20(22,23)24)29-30(14)17-13(21)5-4-6-27-17;1-10-7-11(22-2)8-12(18(28)23-3)16(10)25-19(29)14-9-15(20)26-27(14)17-13(21)5-4-6-24-17/h5-11H,1-3H3,(H,29,33)(H,30,34);5-11H,1-3H3,(H,26,30)(H,27,31);4-9H,1,3H3,(H,26,31)(H,28,32);4-9H,1,3H3,(H,23,28)(H,25,29)
• InChIKey: BLPYICRUYFNKFE-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 373.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1863.36
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 157387740) is 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is [C-]#[N+]c1cc(C)c(NC(=O)c2cc(Br)nn2-c2ncccc2F)c(C(=O)NC(C)C)c1.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(Br)nn2-c2ncccc2F)c(C(=O)NC)c1.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2F)c(C(=O)NC(C)C)c1.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2F)c(C(=O)NC)c1.

What is the InChIKey of 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is BLPYICRUYFNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6O2.C21H18BrFN6O2.C20H14F4N6O2.C19H14BrFN6O2/c1-11(2)29-20(33)14-9-13(27-4)8-12(3)18(14)30-21(34)16-10-17(22(24,25)26)31-32(16)19-15(23)6-5-7-28-19;1-11(2)26-20(30)14-9-13(24-4)8-12(3)18(14)27-21(31)16-10-17(22)28-29(16)19-15(23)6-5-7-25-19;1-10-7-11(25-2)8-12(18(31)26-3)16(10)28-19(32)14-9-15(20(22,23)24)29-30(14)17-13(21)5-4-6-27-17;1-10-7-11(22-2)8-12(18(28)23-3)16(10)25-19(29)14-9-15(20)26-27(14)17-13(21)5-4-6-24-17/h5-11H,1-3H3,(H,29,33)(H,30,34);5-11H,1-3H3,(H,26,30)(H,27,31);4-9H,1,3H3,(H,26,31)(H,28,32);4-9H,1,3H3,(H,23,28)(H,25,29).

What are the key properties of 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?

3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 1863.36 g/mol, XLogP of 16.63, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;3-bromo-1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-fluoro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 157387740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).