5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol

C23H27F3N6O — CID 137465011

IUPAC5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(N(c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C23H27F3N6O/c1-21(2)10-16(11-22(3,4)31-21)32(23(24,25)26)20-8-7-18(29-30-20)17-6-5-14(9-19(17)33)15-12-27-28-13-15/h5-9,12-13,16,31,33H,10-11H2,1-4H3,(H,27,28)
InChIKeyIIQUYRIHIOMVFJ-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.87
Rot. Bonds4

About 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol

5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol (PubChem CID 137465011) has the molecular formula C23H27F3N6O and a molecular weight of 460.50 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol
PubChem CID137465011
Molecular FormulaC23H27F3N6O
Molecular Weight460.50 g/mol
Exact Mass460.22
IUPAC Name5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(N(c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C23H27F3N6O/c1-21(2)10-16(11-22(3,4)31-21)32(23(24,25)26)20-8-7-18(29-30-20)17-6-5-14(9-19(17)33)15-12-27-28-13-15/h5-9,12-13,16,31,33H,10-11H2,1-4H3,(H,27,28)
InChIKeyIIQUYRIHIOMVFJ-UHFFFAOYSA-N
XLogP4.87
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol (CID 137465011) is 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol is CC1(C)CC(N(c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C(F)(F)F)CC(C)(C)N1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol?
The InChIKey is IIQUYRIHIOMVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O/c1-21(2)10-16(11-22(3,4)31-21)32(23(24,25)26)20-8-7-18(29-30-20)17-6-5-14(9-19(17)33)15-12-27-28-13-15/h5-9,12-13,16,31,33H,10-11H2,1-4H3,(H,27,28).
What are the key properties of 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol?
5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol has a molecular weight of 460.50 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(trifluoromethyl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 137465011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).