3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one

C20H18FN3O — CID 16652693

IUPAC3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2c(Nc3ccccc3F)nn(-c3ccccc3)c2C1
InChIInChI=1S/C20H18FN3O/c1-13-11-17-19(18(25)12-13)20(22-16-10-6-5-9-15(16)21)23-24(17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyHIODXBMWZFBHLU-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.52
Rot. Bonds3

About 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one

3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 16652693) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID16652693
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2c(Nc3ccccc3F)nn(-c3ccccc3)c2C1
InChIInChI=1S/C20H18FN3O/c1-13-11-17-19(18(25)12-13)20(22-16-10-6-5-9-15(16)21)23-24(17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyHIODXBMWZFBHLU-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 342595
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11617386
N-[3-(2-Fluorophenyl)-1-phenyl-1H-pyrazol-5-YL]-4-(propan-2-YL)benzamide
CID 16030789
2-cyclohexylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 136123441
3-[(1,3-Diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one
CID 164610081
3-amino-6,6-dimethyl-2-phenyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 3237697
1-(3-Methyl-1-phenyl-5-propylamino-1H-pyrazol-4-yl)-3-phenyl-propan-1-one
CID 10497861
3-Methyl-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135484673
4-fluoro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 736295

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one (CID 16652693) is 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one is CC1CC(=O)c2c(Nc3ccccc3F)nn(-c3ccccc3)c2C1.
What is the InChIKey of 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is HIODXBMWZFBHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-11-17-19(18(25)12-13)20(22-16-10-6-5-9-15(16)21)23-24(17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,23).
What are the key properties of 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 335.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 16652693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).