methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate

C24H27N3O4 — CID 24774589

IUPACmethyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate
SMILESCCC[C@H]1C[C@H](C(=O)OC)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N12
InChIInChI=1S/C24H27N3O4/c1-3-10-18-15-19(24(30)31-2)27-23(29)20(25-22(28)17-13-8-5-9-14-17)21(26(18)27)16-11-6-4-7-12-16/h4-9,11-14,18-21H,3,10,15H2,1-2H3,(H,25,28)/t18-,19+,20+,21+/m0/s1
InChIKeyZDUYHLQQPQTEJA-DOIPELPJSA-N
MW421.50 g/mol
LogP2.70
Rot. Bonds6

About methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate

methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate (PubChem CID 24774589) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate
PubChem CID24774589
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Namemethyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate
SMILESCCC[C@H]1C[C@H](C(=O)OC)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N12
InChIInChI=1S/C24H27N3O4/c1-3-10-18-15-19(24(30)31-2)27-23(29)20(25-22(28)17-13-8-5-9-14-17)21(26(18)27)16-11-6-4-7-12-16/h4-9,11-14,18-21H,3,10,15H2,1-2H3,(H,25,28)/t18-,19+,20+,21+/m0/s1
InChIKeyZDUYHLQQPQTEJA-DOIPELPJSA-N
XLogP2.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Npc171139
CID 9832120
Aurantiamide Acetate
CID 10026486
N-benzoyl-phenylalanine methyl ester
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(2S)-1-[(2S)-2-[[(1S,3S)-3-benzamido-1-carboxy-4-phenylbutyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54560245
(2S)-1-[(2S)-2-[[(1R,3S)-3-benzamido-1-carboxy-4-phenylbutyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71454428
(2s)-2-[(n-Benzoylphenylalanyl)amino]-3-phenylpropyl acetate
CID 124319
(2S,4S)-Methyl 1-acetyl-4-(benzamido)pyrrolidine-2-carboxylate
CID 11942810
methyl (1S,5S,7R)-1,5-dimethyl-3-oxo-7-phenyl-1,2,6,7-tetrahydropyrazolo[1,2-a]pyrazole-5-carboxylate
CID 168278053
L-Phenylalanine, N-benzoyl-, methyl ester
CID 684239
((2S)-2-(((2R)-2-benzamido-3-phenylpropanoyl)amino)-3-phenylpropyl) acetate
CID 13855373
Aurantiamidacetat
CID 13855374
methyl (1S,3R,3aS,6aR)-1-[[benzoyl(methyl)amino]methyl]-5-benzyl-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 44246844

Frequently Asked Questions

What is the IUPAC name of methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate?
The IUPAC name of methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate (CID 24774589) is methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate.
What is the SMILES notation for methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate?
The canonical SMILES for methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate is CCC[C@H]1C[C@H](C(=O)OC)N2C(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c3ccccc3)N12.
What is the InChIKey of methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate?
The InChIKey is ZDUYHLQQPQTEJA-DOIPELPJSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-10-18-15-19(24(30)31-2)27-23(29)20(25-22(28)17-13-8-5-9-14-17)21(26(18)27)16-11-6-4-7-12-16/h4-9,11-14,18-21H,3,10,15H2,1-2H3,(H,25,28)/t18-,19+,20+,21+/m0/s1.
What are the key properties of methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate?
methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,3R,6R,7R)-6-benzamido-5-oxo-7-phenyl-1-propyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carboxylate is sourced from PubChem (CID 24774589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).