3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide

C16H13F3N6O — CID 122292138

About 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide

3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide (PubChem CID 122292138) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
• PubChem CID: 122292138
• Molecular Formula: C16H13F3N6O
• Molecular Weight: 362.32 g/mol
• Exact Mass: 362.11
• IUPAC Name: 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
• SMILES: O=C(CC(F)(F)F)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
• InChI: InChI=1S/C16H13F3N6O/c17-16(18,19)10-15(26)22-12-4-2-11(3-5-12)21-13-6-7-14(24-23-13)25-9-1-8-20-25/h1-9H,10H2,(H,21,23)(H,22,26)
• InChIKey: RYRNXBJTFUZVPZ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.32
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?

The IUPAC name of 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide (CID 122292138) is 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide.

What is the SMILES notation for 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?

The canonical SMILES for 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide is O=C(CC(F)(F)F)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1.

What is the InChIKey of 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?

The InChIKey is RYRNXBJTFUZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O/c17-16(18,19)10-15(26)22-12-4-2-11(3-5-12)21-13-6-7-14(24-23-13)25-9-1-8-20-25/h1-9H,10H2,(H,21,23)(H,22,26).

What are the key properties of 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?

3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide has a molecular weight of 362.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide is sourced from PubChem (CID 122292138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).