6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one

C24H24FN5O2 — CID 51031046

IUPAC6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn(C)c2NCCCO)ccc1=O
InChIInChI=1S/C24H24FN5O2/c1-16-6-3-4-7-20(16)30-21(32)13-12-19(27-30)22-23(17-8-10-18(25)11-9-17)28-29(2)24(22)26-14-5-15-31/h3-4,6-13,26,31H,5,14-15H2,1-2H3
InChIKeyXJVWGLLFVRSHPK-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.54
Rot. Bonds7

About 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one

6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 51031046) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
PubChem CID51031046
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn(C)c2NCCCO)ccc1=O
InChIInChI=1S/C24H24FN5O2/c1-16-6-3-4-7-20(16)30-21(32)13-12-19(27-30)22-23(17-8-10-18(25)11-9-17)28-29(2)24(22)26-14-5-15-31/h3-4,6-13,26,31H,5,14-15H2,1-2H3
InChIKeyXJVWGLLFVRSHPK-UHFFFAOYSA-N
XLogP3.54
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(5S)-2-(4-fluorophenyl)-5-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-(2-methylphenyl)pyridazin-3(2H)-one
CID 135523996
6-[(5R)-2-(4-fluorophenyl)-5-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135523997
6-[(6R)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975103
AS1940477
CID 136173253
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
6-[(6S)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226813
6-[3-(4-Fluorophenyl)-1-methyl-5-(methylamino)pyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 69575038
6-[2-(4-Fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135523986
6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975090
6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one
CID 135975142
2-(4-Fluorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983741
2-(4-Fluoro-3-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983765

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one (CID 51031046) is 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn(C)c2NCCCO)ccc1=O.
What is the InChIKey of 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one?
The InChIKey is XJVWGLLFVRSHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-16-6-3-4-7-20(16)30-21(32)13-12-19(27-30)22-23(17-8-10-18(25)11-9-17)28-29(2)24(22)26-14-5-15-31/h3-4,6-13,26,31H,5,14-15H2,1-2H3.
What are the key properties of 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one?
6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 433.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 51031046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).