5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol

C15H14FN5O — CID 155041486

IUPAC5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cnn(CF)c3)cc2O)nn1
InChIInChI=1S/C15H14FN5O/c1-17-15-5-4-13(19-20-15)12-3-2-10(6-14(12)22)11-7-18-21(8-11)9-16/h2-8,22H,9H2,1H3,(H,17,20)
InChIKeyMOYCSPFPHISYDB-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.68
Rot. Bonds4

About 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol

5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol (PubChem CID 155041486) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol
PubChem CID155041486
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cnn(CF)c3)cc2O)nn1
InChIInChI=1S/C15H14FN5O/c1-17-15-5-4-13(19-20-15)12-3-2-10(6-14(12)22)11-7-18-21(8-11)9-16/h2-8,22H,9H2,1H3,(H,17,20)
InChIKeyMOYCSPFPHISYDB-UHFFFAOYSA-N
XLogP2.68
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162644974
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
2-(6-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136377184
Nvs-SM2
CID 136598218
2-[6-(2,7-Diazaspiro[4.5]dec-2-yl)-3-pyridazinyl]-5-(1H-pyrazol-4-yl)phenol
CID 136598257
SMARCA2/4-ligand-6
CID 137029367
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
US11208399, Example 28
CID 155284545
5-Fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807249
5-Fluoro-2-[[[3-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807263
US10308614, Example 194
CID 137029392
US10308614, Example 188
CID 137029401

Frequently Asked Questions

What is the IUPAC name of 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol?
The IUPAC name of 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol (CID 155041486) is 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol?
The canonical SMILES for 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol is CNc1ccc(-c2ccc(-c3cnn(CF)c3)cc2O)nn1.
What is the InChIKey of 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol?
The InChIKey is MOYCSPFPHISYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-17-15-5-4-13(19-20-15)12-3-2-10(6-14(12)22)11-7-18-21(8-11)9-16/h2-8,22H,9H2,1H3,(H,17,20).
What are the key properties of 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol?
5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol has a molecular weight of 299.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol is sourced from PubChem (CID 155041486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).