3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

C18H17FN2O3 — CID 137463170

IUPAC3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(OC)c(-c2ccc(C3=NNC(=O)CC3)cc2F)c1
InChIInChI=1S/C18H17FN2O3/c1-23-12-4-7-17(24-2)14(10-12)13-5-3-11(9-15(13)19)16-6-8-18(22)21-20-16/h3-5,7,9-10H,6,8H2,1-2H3,(H,21,22)
InChIKeyAIPVASULLZZIOD-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.12
Rot. Bonds4

About 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463170) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463170
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(OC)c(-c2ccc(C3=NNC(=O)CC3)cc2F)c1
InChIInChI=1S/C18H17FN2O3/c1-23-12-4-7-17(24-2)14(10-12)13-5-3-11(9-15(13)19)16-6-8-18(22)21-20-16/h3-5,7,9-10H,6,8H2,1-2H3,(H,21,22)
InChIKeyAIPVASULLZZIOD-UHFFFAOYSA-N
XLogP3.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463170) is 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(OC)c(-c2ccc(C3=NNC(=O)CC3)cc2F)c1.
What is the InChIKey of 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is AIPVASULLZZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-23-12-4-7-17(24-2)14(10-12)13-5-3-11(9-15(13)19)16-6-8-18(22)21-20-16/h3-5,7,9-10H,6,8H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 328.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).