3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C22H15F4N5O2 — CID 167199266

About 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167199266) has the molecular formula C22H15F4N5O2 and a molecular weight of 457.39 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
• PubChem CID: 167199266
• Molecular Formula: C22H15F4N5O2
• Molecular Weight: 457.39 g/mol
• Exact Mass: 457.12
• IUPAC Name: 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
• SMILES: Cc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2ccn[nH]2)c1
• InChI: InChI=1S/C22H15F4N5O2/c1-12-9-14(23)5-6-18(12)33-21-16(11-19(30-31-21)22(24,25)26)20(32)28-15-4-2-3-13(10-15)17-7-8-27-29-17/h2-11H,1H3,(H,27,29)(H,28,32)
• InChIKey: YJZIZGMPNLOLIY-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.39
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

The IUPAC name of 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167199266) is 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

What is the SMILES notation for 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

The canonical SMILES for 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2ccn[nH]2)c1.

What is the InChIKey of 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

The InChIKey is YJZIZGMPNLOLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O2/c1-12-9-14(23)5-6-18(12)33-21-16(11-19(30-31-21)22(24,25)26)20(32)28-15-4-2-3-13(10-15)17-7-8-27-29-17/h2-11H,1H3,(H,27,29)(H,28,32).

What are the key properties of 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 457.39 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167199266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).