ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate

C29H27N3O4 — CID 10552769

IUPACethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCCOC(=O)C1=C(C)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N2[C@H]1c1ccccc1
InChIInChI=1S/C29H27N3O4/c1-3-36-29(35)23-19(2)31-28(34)24(30-27(33)22-17-11-6-12-18-22)26(21-15-9-5-10-16-21)32(31)25(23)20-13-7-4-8-14-20/h4-18,24-26H,3H2,1-2H3,(H,30,33)/t24-,25+,26-/m1/s1
InChIKeyTWQLZOMRPLWXCH-UODIDJSMSA-N
MW481.55 g/mol
LogP4.18
Rot. Bonds6

About ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate

ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate (PubChem CID 10552769) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
PubChem CID10552769
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC Nameethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCCOC(=O)C1=C(C)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N2[C@H]1c1ccccc1
InChIInChI=1S/C29H27N3O4/c1-3-36-29(35)23-19(2)31-28(34)24(30-27(33)22-17-11-6-12-18-22)26(21-15-9-5-10-16-21)32(31)25(23)20-13-7-4-8-14-20/h4-18,24-26H,3H2,1-2H3,(H,30,33)/t24-,25+,26-/m1/s1
InChIKeyTWQLZOMRPLWXCH-UODIDJSMSA-N
XLogP4.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate 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

Npc171139
CID 9832120
Aurantiamide Acetate
CID 10026486
(2s)-2-[(n-Benzoylphenylalanyl)amino]-3-phenylpropyl acetate
CID 124319
ethyl 1-cyclohexyl-4-(cyclohexylamino)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162643607
[(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate
CID 5321123
((2S)-2-(((2R)-2-benzamido-3-phenylpropanoyl)amino)-3-phenylpropyl) acetate
CID 13855373
Aurantiamidacetat
CID 13855374
[(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate
CID 13855372
Aurentiamide acetate
CID 101757041
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

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The IUPAC name of ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate (CID 10552769) is ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate.
What is the SMILES notation for ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The canonical SMILES for ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate is CCOC(=O)C1=C(C)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The InChIKey is TWQLZOMRPLWXCH-UODIDJSMSA-N. The full InChI is InChI=1S/C29H27N3O4/c1-3-36-29(35)23-19(2)31-28(34)24(30-27(33)22-17-11-6-12-18-22)26(21-15-9-5-10-16-21)32(31)25(23)20-13-7-4-8-14-20/h4-18,24-26H,3H2,1-2H3,(H,30,33)/t24-,25+,26-/m1/s1.
What are the key properties of ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,7S)-2-benzamido-5-methyl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate is sourced from PubChem (CID 10552769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).