6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one

C19H24N2O5 — CID 132514327

IUPAC6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one
SMILESCOc1cc(C2C(C(C)=O)=CN3C(=O)CC(C)(C)N23)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-11(22)13-10-20-16(23)9-19(2,3)21(20)17(13)12-7-14(24-4)18(26-6)15(8-12)25-5/h7-8,10,17H,9H2,1-6H3
InChIKeyDOMCIWSCAKWAMV-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.47
Rot. Bonds5

About 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one

6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one (PubChem CID 132514327) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one.

Molecular Properties

Compound Name6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one
PubChem CID132514327
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one
SMILESCOc1cc(C2C(C(C)=O)=CN3C(=O)CC(C)(C)N23)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-11(22)13-10-20-16(23)9-19(2,3)21(20)17(13)12-7-14(24-4)18(26-6)15(8-12)25-5/h7-8,10,17H,9H2,1-6H3
InChIKeyDOMCIWSCAKWAMV-UHFFFAOYSA-N
XLogP2.47
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-1-propyl-5-[pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 16268553
Dimethyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6,7-dicarboxylate
CID 15505763
Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101095705
Methyl 3,3-dimethyl-1-oxo-5-(2,4,6-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101095709
Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-7-carboxylate
CID 101095714
1-(3,4,5-Trimethoxybenzyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
CID 168304422
1-[3-(Dimethylamino)propyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
CID 2919535
1-[(2R,3S)-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 21789031
Methyl 1-ethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridine-5-carboxylate
CID 53734148
1-[(3,4,5-Trimethoxyphenyl)methyl]-7,7a-dihydroindole-2,3-dione
CID 69108460
1-Phenyl-4-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 73663343
4-(4-Methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
CID 123262644

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one?
The IUPAC name of 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one (CID 132514327) is 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one.
What is the SMILES notation for 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one?
The canonical SMILES for 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one is COc1cc(C2C(C(C)=O)=CN3C(=O)CC(C)(C)N23)cc(OC)c1OC.
What is the InChIKey of 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one?
The InChIKey is DOMCIWSCAKWAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-11(22)13-10-20-16(23)9-19(2,3)21(20)17(13)12-7-14(24-4)18(26-6)15(8-12)25-5/h7-8,10,17H,9H2,1-6H3.
What are the key properties of 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one?
6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one has a molecular weight of 360.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazol-1-one is sourced from PubChem (CID 132514327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).