2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide

C18H18FN5O3 — CID 90538725

IUPAC2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C18H18FN5O3/c1-13(27-15-5-3-14(19)4-6-15)18(26)20-10-12-24-17(25)8-7-16(22-24)23-11-2-9-21-23/h2-9,11,13H,10,12H2,1H3,(H,20,26)
InChIKeyNOQWFJOYKPPWNT-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.15
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide

2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide (PubChem CID 90538725) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
PubChem CID90538725
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C18H18FN5O3/c1-13(27-15-5-3-14(19)4-6-15)18(26)20-10-12-24-17(25)8-7-16(22-24)23-11-2-9-21-23/h2-9,11,13H,10,12H2,1H3,(H,20,26)
InChIKeyNOQWFJOYKPPWNT-UHFFFAOYSA-N
XLogP1.15
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 90538814
(E)-3-(4-fluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]prop-2-enamide
CID 90538706
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517663
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517415
3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 90538879
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 90538991
2-bromo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538817
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538738

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide (CID 90538725) is 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide is CC(Oc1ccc(F)cc1)C(=O)NCCn1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
The InChIKey is NOQWFJOYKPPWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-13(27-15-5-3-14(19)4-6-15)18(26)20-10-12-24-17(25)8-7-16(22-24)23-11-2-9-21-23/h2-9,11,13H,10,12H2,1H3,(H,20,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide has a molecular weight of 371.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 90538725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).