tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate

C26H24N2O8 — CID 13017112

IUPACtetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C(C(=O)OC)=C(C(=O)OC)C(c3ccccc3)(c3ccccc3)N2C1
InChIInChI=1S/C26H24N2O8/c1-33-22(29)18-15-27-26(16-11-7-5-8-12-16,17-13-9-6-10-14-17)19(23(30)34-2)21(25(32)36-4)28(27)20(18)24(31)35-3/h5-14H,15H2,1-4H3
InChIKeyKWEWABROTMCWBY-UHFFFAOYSA-N
MW492.48 g/mol
LogP1.68
Rot. Bonds6

About tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate

tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate (PubChem CID 13017112) has the molecular formula C26H24N2O8 and a molecular weight of 492.48 g/mol. Its IUPAC name is tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate
PubChem CID13017112
Molecular FormulaC26H24N2O8
Molecular Weight492.48 g/mol
Exact Mass492.15
IUPAC Nametetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C(C(=O)OC)=C(C(=O)OC)C(c3ccccc3)(c3ccccc3)N2C1
InChIInChI=1S/C26H24N2O8/c1-33-22(29)18-15-27-26(16-11-7-5-8-12-16,17-13-9-6-10-14-17)19(23(30)34-2)21(25(32)36-4)28(27)20(18)24(31)35-3/h5-14H,15H2,1-4H3
InChIKeyKWEWABROTMCWBY-UHFFFAOYSA-N
XLogP1.68
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 3,3-diphenyl-3h-pyrazole-4,5-dicarboxylate
CID 21721543
3,3-Dibenzyl-4,5-bis(methoxycarbonyl)-3h-pyrazole
CID 129868320
Methyl 5-methyl-3,3-diphenyl-3h-pyrazole-4-carboxylate
CID 12221245
Dimethyl 6-methyl-7-oxo-4,4-diphenyl-1,5-diazabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylate
CID 13017114
tetramethyl 3-methyl-5,5-diphenyl-1H-pyrazolo[1,2-a]pyrazole-1,2,6,7-tetracarboxylate
CID 13017115
Dimethyl 2,5-diphenyl-1,2-dihydropyrrole-3,5-dicarboxylate
CID 13972403
diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
CID 15880041
Dimethyl 3,3-dimethyl-1-oxo-5-(2,4,6-trimethylphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6,7-dicarboxylate
CID 101095700
dimethyl (1R,2R,7S)-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 102011115
dimethyl (1R,2R,7S)-2-[bis(prop-2-enyl)amino]-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 102011117
dimethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
CID 134924566
tetramethyl 1-methyl-7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate
CID 134925665

Frequently Asked Questions

What is the IUPAC name of tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate?
The IUPAC name of tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate (CID 13017112) is tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N2C(C(=O)OC)=C(C(=O)OC)C(c3ccccc3)(c3ccccc3)N2C1.
What is the InChIKey of tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate?
The InChIKey is KWEWABROTMCWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O8/c1-33-22(29)18-15-27-26(16-11-7-5-8-12-16,17-13-9-6-10-14-17)19(23(30)34-2)21(25(32)36-4)28(27)20(18)24(31)35-3/h5-14H,15H2,1-4H3.
What are the key properties of tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate?
tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate has a molecular weight of 492.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate is sourced from PubChem (CID 13017112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).