3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one

C21H16N4O3 — CID 1479688

IUPAC3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
SMILESCOc1cccc(C(=O)n2ccc(-c3nn(-c4ccccc4)ccc3=O)n2)c1
InChIInChI=1S/C21H16N4O3/c1-28-17-9-5-6-15(14-17)21(27)25-12-10-18(22-25)20-19(26)11-13-24(23-20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyWMIFPQCWLDFYLE-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.79
Rot. Bonds4

About 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one

3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one (PubChem CID 1479688) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one.

Molecular Properties

Compound Name3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
PubChem CID1479688
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
SMILESCOc1cccc(C(=O)n2ccc(-c3nn(-c4ccccc4)ccc3=O)n2)c1
InChIInChI=1S/C21H16N4O3/c1-28-17-9-5-6-15(14-17)21(27)25-12-10-18(22-25)20-19(26)11-13-24(23-20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyWMIFPQCWLDFYLE-UHFFFAOYSA-N
XLogP2.79
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63950822
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
CID 1061733
3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one
CID 3936192
3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62886369
3-methoxy-N-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide
CID 134798353
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one
CID 71111477
(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10665128

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
The IUPAC name of 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one (CID 1479688) is 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one.
What is the SMILES notation for 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
The canonical SMILES for 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one is COc1cccc(C(=O)n2ccc(-c3nn(-c4ccccc4)ccc3=O)n2)c1.
What is the InChIKey of 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
The InChIKey is WMIFPQCWLDFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-28-17-9-5-6-15(14-17)21(27)25-12-10-18(22-25)20-19(26)11-13-24(23-20)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one has a molecular weight of 372.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one is sourced from PubChem (CID 1479688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).