3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide

C24H19FN8O — CID 122292068

About 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide (PubChem CID 122292068) has the molecular formula C24H19FN8O and a molecular weight of 454.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
• PubChem CID: 122292068
• Molecular Formula: C24H19FN8O
• Molecular Weight: 454.47 g/mol
• Exact Mass: 454.17
• IUPAC Name: 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
• SMILES: Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
• InChI: InChI=1S/C24H19FN8O/c1-32-21(15-20(31-32)16-3-5-17(25)6-4-16)24(34)28-19-9-7-18(8-10-19)27-22-11-12-23(30-29-22)33-14-2-13-26-33/h2-15H,1H3,(H,27,29)(H,28,34)
• InChIKey: CDZFXSGXAZXJHT-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 102.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.47
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide (CID 122292068) is 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1.

What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

The InChIKey is CDZFXSGXAZXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O/c1-32-21(15-20(31-32)16-3-5-17(25)6-4-16)24(34)28-19-9-7-18(8-10-19)27-22-11-12-23(30-29-22)33-14-2-13-26-33/h2-15H,1H3,(H,27,29)(H,28,34).

What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122292068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).