3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C16H16FN3O2 — CID 110661811

IUPAC3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-12-5-3-11(4-6-12)10-13-2-1-9-20(13)16(22)14-7-8-15(21)19-18-14/h3-8,13H,1-2,9-10H2,(H,19,21)
InChIKeyNWZGQMUDUCDHEL-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.76
Rot. Bonds3

About 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110661811) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110661811
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-12-5-3-11(4-6-12)10-13-2-1-9-20(13)16(22)14-7-8-15(21)19-18-14/h3-8,13H,1-2,9-10H2,(H,19,21)
InChIKeyNWZGQMUDUCDHEL-UHFFFAOYSA-N
XLogP1.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661857
3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 110671096
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(hydroxymethyl)-1,3-thiazol-4-yl]methanone
CID 126839363
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
6-[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94635684
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)-1H-pyridazin-6-one
CID 114040889
[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 97077308
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110669930

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 110661811) is 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCCC1Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is NWZGQMUDUCDHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-5-3-11(4-6-12)10-13-2-1-9-20(13)16(22)14-7-8-15(21)19-18-14/h3-8,13H,1-2,9-10H2,(H,19,21).
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 301.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110661811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).