N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide

C22H18FN5O2 — CID 71111854

IUPACN-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1
InChIInChI=1S/C22H18FN5O2/c1-2-21(30)25-15-6-5-7-16(14-15)27-13-11-20(29)22(26-27)19-10-12-24-28(19)18-9-4-3-8-17(18)23/h3-14H,2H2,1H3,(H,25,30)
InChIKeyNDNGDLJTKLOONW-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.57
Rot. Bonds5

About N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide

N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide (PubChem CID 71111854) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide
PubChem CID71111854
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1
InChIInChI=1S/C22H18FN5O2/c1-2-21(30)25-15-6-5-7-16(14-15)27-13-11-20(29)22(26-27)19-10-12-24-28(19)18-9-4-3-8-17(18)23/h3-14H,2H2,1H3,(H,25,30)
InChIKeyNDNGDLJTKLOONW-UHFFFAOYSA-N
XLogP3.57
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
CID 59453401
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one
CID 59453403
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-quinolin-6-ylpyridazin-4-one
CID 59453404
N-[3-[5-[1-[3-(dimethylsulfamoyl)phenyl]-4-oxopyridazin-3-yl]pyrazol-1-yl]phenyl]acetamide
CID 59370156
1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one
CID 59370097
3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one
CID 59370102
3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 141272838
3-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-1-[3-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]phenyl]pyridazin-4-one
CID 59370036
3-fluoropropyl 3-[3-(2-naphthalen-1-ylpyrazol-3-yl)-4-oxopyridazin-1-yl]benzoate
CID 59369971
3-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethylsulfonyl)phenyl]pyridazin-4-one
CID 67430426
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
CID 70226809

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide (CID 71111854) is N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1.
What is the InChIKey of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide?
The InChIKey is NDNGDLJTKLOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-2-21(30)25-15-6-5-7-16(14-15)27-13-11-20(29)22(26-27)19-10-12-24-28(19)18-9-4-3-8-17(18)23/h3-14H,2H2,1H3,(H,25,30).
What are the key properties of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide?
N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide has a molecular weight of 403.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 71111854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).