5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one

C15H16FN3O2 — CID 119061959

IUPAC5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-13-5-4-10(8-11(13)16)14-12(9-17-18-15(14)20)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyHKGBVHZILXGCPH-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.18
Rot. Bonds3

About 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one

5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one (PubChem CID 119061959) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
PubChem CID119061959
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-13-5-4-10(8-11(13)16)14-12(9-17-18-15(14)20)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyHKGBVHZILXGCPH-UHFFFAOYSA-N
XLogP2.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one (CID 119061959) is 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one is COc1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The InChIKey is HKGBVHZILXGCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-13-5-4-10(8-11(13)16)14-12(9-17-18-15(14)20)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one has a molecular weight of 289.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 119061959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).