methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

C22H21N3O4 — CID 86637145

IUPACmethyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)C[C@@H]2c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-24-13-17(16-11-7-4-8-12-16)25-19(21(24)26)20(18(23-25)22(27)28-2)29-14-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17-/m1/s1
InChIKeyGJDOYSMAZNVMDU-QGZVFWFLSA-N
MW391.43 g/mol
LogP2.92
Rot. Bonds5

About methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 86637145) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID86637145
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)C[C@@H]2c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-24-13-17(16-11-7-4-8-12-16)25-19(21(24)26)20(18(23-25)22(27)28-2)29-14-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17-/m1/s1
InChIKeyGJDOYSMAZNVMDU-QGZVFWFLSA-N
XLogP2.92
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 68953073
ethyl 7-carbamoyl-5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 68954171
(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 68952351
methyl 7-benzyl-3-butoxy-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 126713341
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
ethyl 5-methyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylate
CID 91532824
methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 126713340
3-methoxycarbonyl-4-phenylmethoxypyrazole-1-carboxylic acid
CID 91402164
methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate
CID 176830175
methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate
CID 66922402
methyl 8-ethyl-4-phenylmethoxyisoquinoline-3-carboxylate
CID 177153579
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (CID 86637145) is methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)C[C@@H]2c1ccccc1.
What is the InChIKey of methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is GJDOYSMAZNVMDU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-24-13-17(16-11-7-4-8-12-16)25-19(21(24)26)20(18(23-25)22(27)28-2)29-14-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 391.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 86637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).