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Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate

C19H24N2O6 — CID 101095705

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCOC(=O)C1=CN2C(=O)CC(C)(C)N2C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H24N2O6/c1-19(2)9-15(22)20-10-12(18(23)27-6)16(21(19)20)11-7-13(24-3)17(26-5)14(8-11)25-4/h7-8,10,16H,9H2,1-6H3
InChIKeyYJCRKXOYSCYEPV-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.05
Rot. Bonds5

About Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate

Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate (PubChem CID 101095705) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate.

Molecular Properties

Compound NameMethyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
PubChem CID101095705
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namemethyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCOC(=O)C1=CN2C(=O)CC(C)(C)N2C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H24N2O6/c1-19(2)9-15(22)20-10-12(18(23)27-6)16(21(19)20)11-7-13(24-3)17(26-5)14(8-11)25-4/h7-8,10,16H,9H2,1-6H3
InChIKeyYJCRKXOYSCYEPV-UHFFFAOYSA-N
XLogP2.05
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
The IUPAC name of Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate (CID 101095705) is methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate.
What is the SMILES notation for Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
The canonical SMILES for Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate is COC(=O)C1=CN2C(=O)CC(C)(C)N2C1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
The InChIKey is YJCRKXOYSCYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-19(2)9-15(22)20-10-12(18(23)27-6)16(21(19)20)11-7-13(24-3)17(26-5)14(8-11)25-4/h7-8,10,16H,9H2,1-6H3.
What are the key properties of Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate is sourced from PubChem (CID 101095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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