methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate

C18H22N2O5 — CID 101095710

IUPACmethyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCOC(=O)C1=CN2C(=O)CC(C)(C)N2C1c1c(OC)cccc1OC
InChIInChI=1S/C18H22N2O5/c1-18(2)9-14(21)19-10-11(17(22)25-5)16(20(18)19)15-12(23-3)7-6-8-13(15)24-4/h6-8,10,16H,9H2,1-5H3
InChIKeyQJAPHQNVMGFEAG-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.04
Rot. Bonds4

About methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate

methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate (PubChem CID 101095710) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
PubChem CID101095710
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCOC(=O)C1=CN2C(=O)CC(C)(C)N2C1c1c(OC)cccc1OC
InChIInChI=1S/C18H22N2O5/c1-18(2)9-14(21)19-10-11(17(22)25-5)16(20(18)19)15-12(23-3)7-6-8-13(15)24-4/h6-8,10,16H,9H2,1-5H3
InChIKeyQJAPHQNVMGFEAG-UHFFFAOYSA-N
XLogP2.04
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate with MolForge

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Related Compounds

ethyl (7R)-7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 132255165
Dimethyl 5-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6,7-dicarboxylate
CID 15505762
Dimethyl 3,3-dimethyl-1-oxo-5-(2,4,6-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6,7-dicarboxylate
CID 101095701
Methyl 5-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101095704
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
ethyl 7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101793277
Methyl 3,3-dimethyl-1-oxo-5-(2,4,6-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-7-carboxylate
CID 134925403
Ethyl 5-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 134941887
ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 102434116

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
The IUPAC name of methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate (CID 101095710) is methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate.
What is the SMILES notation for methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
The canonical SMILES for methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate is COC(=O)C1=CN2C(=O)CC(C)(C)N2C1c1c(OC)cccc1OC.
What is the InChIKey of methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
The InChIKey is QJAPHQNVMGFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(2)9-14(21)19-10-11(17(22)25-5)16(20(18)19)15-12(23-3)7-6-8-13(15)24-4/h6-8,10,16H,9H2,1-5H3.
What are the key properties of methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate?
methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate is sourced from PubChem (CID 101095710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).