3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide

C22H19F3N6O — CID 90465355

About 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide (PubChem CID 90465355) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
• PubChem CID: 90465355
• Molecular Formula: C22H19F3N6O
• Molecular Weight: 440.43 g/mol
• Exact Mass: 440.16
• IUPAC Name: 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
• SMILES: CCn1cc(-c2ccnc(NC(=O)c3cn(C)nc3C(F)F)c2)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C22H19F3N6O/c1-3-31-12-16(19(29-31)13-4-6-15(23)7-5-13)14-8-9-26-18(10-14)27-22(32)17-11-30(2)28-20(17)21(24)25/h4-12,21H,3H2,1-2H3,(H,26,27,32)
• InChIKey: GTPPMSNHNMTWPO-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.43
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?

The IUPAC name of 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide (CID 90465355) is 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?

The canonical SMILES for 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide is CCn1cc(-c2ccnc(NC(=O)c3cn(C)nc3C(F)F)c2)c(-c2ccc(F)cc2)n1.

What is the InChIKey of 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?

The InChIKey is GTPPMSNHNMTWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c1-3-31-12-16(19(29-31)13-4-6-15(23)7-5-13)14-8-9-26-18(10-14)27-22(32)17-11-30(2)28-20(17)21(24)25/h4-12,21H,3H2,1-2H3,(H,26,27,32).

What are the key properties of 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?

3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90465355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).