dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate

C26H27N3O6 — CID 24774514

IUPACdimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
SMILESCCC[C@@H]1C(C(=O)OC)=C(C(=O)OC)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N12
InChIInChI=1S/C26H27N3O6/c1-4-11-18-19(25(32)34-2)22(26(33)35-3)29-24(31)20(27-23(30)17-14-9-6-10-15-17)21(28(18)29)16-12-7-5-8-13-16/h5-10,12-15,18,20-21H,4,11H2,1-3H3,(H,27,30)/t18-,20-,21-/m1/s1
InChIKeyLGXGFNHXVANVOX-HMXCVIKNSA-N
MW477.52 g/mol
LogP2.37
Rot. Bonds7

About dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate

dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate (PubChem CID 24774514) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
PubChem CID24774514
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Namedimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
SMILESCCC[C@@H]1C(C(=O)OC)=C(C(=O)OC)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N12
InChIInChI=1S/C26H27N3O6/c1-4-11-18-19(25(32)34-2)22(26(33)35-3)29-24(31)20(27-23(30)17-14-9-6-10-15-17)21(28(18)29)16-12-7-5-8-13-16/h5-10,12-15,18,20-21H,4,11H2,1-3H3,(H,27,30)/t18-,20-,21-/m1/s1
InChIKeyLGXGFNHXVANVOX-HMXCVIKNSA-N
XLogP2.37
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl (1R,2R,7R)-2-benzamido-7-(2,6-dichlorophenyl)-3-oxo-1-phenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 10507458
dimethyl (1R,2R,7S)-2-benzamido-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 10529732
dimethyl (1R,2R,7S)-2-benzamido-7-[4-(dimethylamino)phenyl]-3-oxo-1-phenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 10697998
dimethyl (1R,2R,7S)-2-benzamido-7-(3-nitrophenyl)-3-oxo-1-phenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 10721533
dimethyl (1R,2R,7S)-2-benzamido-7-(4-nitrophenyl)-3-oxo-1-phenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 10745354
N-[(1S)-1-[(2R,4S)-3-benzoyl-4-methyl-5-oxo-2-propan-2-yl-1,3-oxazolidin-4-yl]-2-methylpropyl]benzamide
CID 12143855
methyl (1R,5R,6R)-6-benzamido-3,3-dimethyl-7-oxo-5-phenyl-1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-1-carboxylate
CID 24774432
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 (1R,2S,3R,6R,7R)-6-benzamido-5-oxo-1,7-diphenyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-2,3-dicarboxylate
CID 102210633
methyl (1R,3R,6R,7R)-6-benzamido-5-oxo-1,7-diphenyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate
CID 102210635
methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 134961628

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
The IUPAC name of dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate (CID 24774514) is dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate.
What is the SMILES notation for dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
The canonical SMILES for dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate is CCC[C@@H]1C(C(=O)OC)=C(C(=O)OC)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N12.
What is the InChIKey of dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
The InChIKey is LGXGFNHXVANVOX-HMXCVIKNSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-4-11-18-19(25(32)34-2)22(26(33)35-3)29-24(31)20(27-23(30)17-14-9-6-10-15-17)21(28(18)29)16-12-7-5-8-13-16/h5-10,12-15,18,20-21H,4,11H2,1-3H3,(H,27,30)/t18-,20-,21-/m1/s1.
What are the key properties of dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate has a molecular weight of 477.52 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,2R,7R)-2-benzamido-3-oxo-1-phenyl-7-propyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate is sourced from PubChem (CID 24774514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).