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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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).