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

C25H25N3O6 — CID 24774431

IUPACdimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(C)N2[C@H](c3ccccc3)[C@@H](NC(=O)c3ccccc3)C(=O)N12
InChIInChI=1S/C25H25N3O6/c1-25(2)17(23(31)33-3)20(24(32)34-4)27-22(30)18(26-21(29)16-13-9-6-10-14-16)19(28(25)27)15-11-7-5-8-12-15/h5-14,18-19H,1-4H3,(H,26,29)/t18-,19-/m1/s1
InChIKeyGYQKEBAHNASVSC-RTBURBONSA-N
MW463.49 g/mol
LogP1.98
Rot. Bonds5

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

dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate (PubChem CID 24774431) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
PubChem CID24774431
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Namedimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(C)N2[C@H](c3ccccc3)[C@@H](NC(=O)c3ccccc3)C(=O)N12
InChIInChI=1S/C25H25N3O6/c1-25(2)17(23(31)33-3)20(24(32)34-4)27-22(30)18(26-21(29)16-13-9-6-10-14-16)19(28(25)27)15-11-7-5-8-12-15/h5-14,18-19H,1-4H3,(H,26,29)/t18-,19-/m1/s1
InChIKeyGYQKEBAHNASVSC-RTBURBONSA-N
XLogP1.98
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(Z)-1-benzamido-2-phenylethenyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 54608475
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
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
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
trimethyl (1S,2R,7S)-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-2,5,6-tricarboxylate
CID 134983926
[[(1R,7S)-2-benzamido-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]-ethoxymethylidene]tungsten;carbon monoxide
CID 135003246
ethyl (1R,2R,7S)-2-benzamido-7-(3-fluorophenyl)-3-oxo-1-phenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 44603707

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
The IUPAC name of dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate (CID 24774431) is dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate.
What is the SMILES notation for dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
The canonical SMILES for dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(C)(C)N2[C@H](c3ccccc3)[C@@H](NC(=O)c3ccccc3)C(=O)N12.
What is the InChIKey of dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
The InChIKey is GYQKEBAHNASVSC-RTBURBONSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-25(2)17(23(31)33-3)20(24(32)34-4)27-22(30)18(26-21(29)16-13-9-6-10-14-16)19(28(25)27)15-11-7-5-8-12-15/h5-14,18-19H,1-4H3,(H,26,29)/t18-,19-/m1/s1.
What are the key properties of dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate?
dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate has a molecular weight of 463.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,2R)-2-benzamido-7,7-dimethyl-3-oxo-1-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazole-5,6-dicarboxylate is sourced from PubChem (CID 24774431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).