1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone

C22H17FN4O2 — CID 147665443

IUPAC1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone
SMILESO=C(Cc1ccnnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-19-4-1-15(2-5-19)14-29-22-6-3-17(18-12-26-27-13-18)10-20(22)21(28)9-16-7-8-24-25-11-16/h1-8,10-13H,9,14H2,(H,26,27)
InChIKeyGMEXVMOVCVCHFF-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.01
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone

1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone (PubChem CID 147665443) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone
PubChem CID147665443
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone
SMILESO=C(Cc1ccnnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-19-4-1-15(2-5-19)14-29-22-6-3-17(18-12-26-27-13-18)10-20(22)21(28)9-16-7-8-24-25-11-16/h1-8,10-13H,9,14H2,(H,26,27)
InChIKeyGMEXVMOVCVCHFF-UHFFFAOYSA-N
XLogP4.01
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone (CID 147665443) is 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone is O=C(Cc1ccnnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone?
The InChIKey is GMEXVMOVCVCHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-19-4-1-15(2-5-19)14-29-22-6-3-17(18-12-26-27-13-18)10-20(22)21(28)9-16-7-8-24-25-11-16/h1-8,10-13H,9,14H2,(H,26,27).
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone?
1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone has a molecular weight of 388.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)phenyl]-2-pyridazin-4-ylethanone is sourced from PubChem (CID 147665443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).