methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate

C25H27N3O4 — CID 15442657

IUPACmethyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCOC(=O)C1=C(C)N2C(=O)[C@@H](N3CCOCC3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1
InChIInChI=1S/C25H27N3O4/c1-17-20(25(30)31-2)21(18-9-5-3-6-10-18)28-22(19-11-7-4-8-12-19)23(24(29)27(17)28)26-13-15-32-16-14-26/h3-12,21-23H,13-16H2,1-2H3/t21-,22+,23+/m1/s1
InChIKeyVLTNMGWUUYMTAA-VJBWXMMDSA-N
MW433.51 g/mol
LogP2.69
Rot. Bonds4

About methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate

methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate (PubChem CID 15442657) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
PubChem CID15442657
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Namemethyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCOC(=O)C1=C(C)N2C(=O)[C@@H](N3CCOCC3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1
InChIInChI=1S/C25H27N3O4/c1-17-20(25(30)31-2)21(18-9-5-3-6-10-18)28-22(19-11-7-4-8-12-19)23(24(29)27(17)28)26-13-15-32-16-14-26/h3-12,21-23H,13-16H2,1-2H3/t21-,22+,23+/m1/s1
InChIKeyVLTNMGWUUYMTAA-VJBWXMMDSA-N
XLogP2.69
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate with MolForge

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Related Compounds

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
tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate
CID 13017112
Dimethyl 6-methyl-7-oxo-4,4-diphenyl-1,5-diazabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylate
CID 13017114
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
ethyl (1R,7R)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101807638
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)-7-(4-methoxyphenyl)-2-morpholin-4-yl-3-oxo-1-phenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 102011116
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
trimethyl (1S,2R,7S)-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-2,5,6-tricarboxylate
CID 134983926
carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten
CID 135004592

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The IUPAC name of methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate (CID 15442657) is methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate.
What is the SMILES notation for methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The canonical SMILES for methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate is COC(=O)C1=C(C)N2C(=O)[C@@H](N3CCOCC3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1.
What is the InChIKey of methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The InChIKey is VLTNMGWUUYMTAA-VJBWXMMDSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17-20(25(30)31-2)21(18-9-5-3-6-10-18)28-22(19-11-7-4-8-12-19)23(24(29)27(17)28)26-13-15-32-16-14-26/h3-12,21-23H,13-16H2,1-2H3/t21-,22+,23+/m1/s1.
What are the key properties of methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,7R)-5-methyl-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate is sourced from PubChem (CID 15442657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).