[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate

C23H24N2O5 — CID 10501596

IUPAC[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate
SMILESCCC(OC(=O)c1ccc(OC)cc1)C(=O)c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H24N2O5/c1-5-19(30-23(28)16-11-13-18(29-4)14-12-16)21(26)20-15(2)24(3)25(22(20)27)17-9-7-6-8-10-17/h6-14,19H,5H2,1-4H3
InChIKeyZSTXNHQOCHICFY-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.31
Rot. Bonds7

About [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate

[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate (PubChem CID 10501596) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate
PubChem CID10501596
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate
SMILESCCC(OC(=O)c1ccc(OC)cc1)C(=O)c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H24N2O5/c1-5-19(30-23(28)16-11-13-18(29-4)14-12-16)21(26)20-15(2)24(3)25(22(20)27)17-9-7-6-8-10-17/h6-14,19H,5H2,1-4H3
InChIKeyZSTXNHQOCHICFY-UHFFFAOYSA-N
XLogP3.31
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-chlorobenzoate
CID 10501858
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561342
2-(4-methoxybenzoyl)oxybutanoic acid
CID 126720866
ethyl 4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]amino]benzoate
CID 4968724
phenyl 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylate
CID 134119473
(1-oxo-1-phenylbutan-2-yl) benzoate
CID 102496399
4-(4-chlorobenzoyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 12933291
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
2-(4-chlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 53285340
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 1497145
N-[3-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18912966
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 16523268

Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate?
The IUPAC name of [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate (CID 10501596) is [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate.
What is the SMILES notation for [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate?
The canonical SMILES for [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate is CCC(OC(=O)c1ccc(OC)cc1)C(=O)c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate?
The InChIKey is ZSTXNHQOCHICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-5-19(30-23(28)16-11-13-18(29-4)14-12-16)21(26)20-15(2)24(3)25(22(20)27)17-9-7-6-8-10-17/h6-14,19H,5H2,1-4H3.
What are the key properties of [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate?
[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate has a molecular weight of 408.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-methoxybenzoate is sourced from PubChem (CID 10501596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).