3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one

C17H15FN4O2 — CID 58072487

IUPAC3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one
SMILESCC(=O)c1nn(-c2cccc(-c3cnn(C)c3)c2F)cc(C)c1=O
InChIInChI=1S/C17H15FN4O2/c1-10-8-22(20-16(11(2)23)17(10)24)14-6-4-5-13(15(14)18)12-7-19-21(3)9-12/h4-9H,1-3H3
InChIKeyRBGIQQLPNIFIHK-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.28
Rot. Bonds3

About 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one

3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one (PubChem CID 58072487) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one
PubChem CID58072487
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one
SMILESCC(=O)c1nn(-c2cccc(-c3cnn(C)c3)c2F)cc(C)c1=O
InChIInChI=1S/C17H15FN4O2/c1-10-8-22(20-16(11(2)23)17(10)24)14-6-4-5-13(15(14)18)12-7-19-21(3)9-12/h4-9H,1-3H3
InChIKeyRBGIQQLPNIFIHK-UHFFFAOYSA-N
XLogP2.28
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole
CID 142747348
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
CID 121383013
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385888
3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one
CID 122448879
5-methyl-1-(2-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63981948
4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide
CID 122180346
ethyl 1-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)pyrazole-3-carboxylate
CID 122522198
(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963984
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
1-[2-fluoro-6-(4-phenylpyrazol-1-yl)phenyl]ethanone
CID 62771681

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one?
The IUPAC name of 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one (CID 58072487) is 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one.
What is the SMILES notation for 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one?
The canonical SMILES for 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one is CC(=O)c1nn(-c2cccc(-c3cnn(C)c3)c2F)cc(C)c1=O.
What is the InChIKey of 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one?
The InChIKey is RBGIQQLPNIFIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-10-8-22(20-16(11(2)23)17(10)24)14-6-4-5-13(15(14)18)12-7-19-21(3)9-12/h4-9H,1-3H3.
What are the key properties of 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one?
3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one has a molecular weight of 326.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one is sourced from PubChem (CID 58072487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).