methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate

C19H16N2O2 — CID 12948316

IUPACmethyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nn2c1-c1ccccc1CC2
InChIInChI=1S/C19H16N2O2/c1-23-19(22)16-17(14-8-3-2-4-9-14)20-21-12-11-13-7-5-6-10-15(13)18(16)21/h2-10H,11-12H2,1H3
InChIKeyCIFPMUZYFJVGFD-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.56
Rot. Bonds2

About methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate

methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate (PubChem CID 12948316) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
PubChem CID12948316
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Namemethyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nn2c1-c1ccccc1CC2
InChIInChI=1S/C19H16N2O2/c1-23-19(22)16-17(14-8-3-2-4-9-14)20-21-12-11-13-7-5-6-10-15(13)18(16)21/h2-10H,11-12H2,1H3
InChIKeyCIFPMUZYFJVGFD-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
CID 132991253
methyl 1,3-dimethyl-5-phenylpyrazole-4-carboxylate
CID 22831861
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
dimethyl cyclohepta[b]pyrrole-2,3-dicarboxylate
CID 15202117
methyl 2-bromo-6-phenylbenzoate
CID 13352656
dimethyl 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388581
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
CID 10781962
dimethyl 1-phenyl-3-(2-phenylphenyl)pyrazole-4,5-dicarboxylate
CID 169387538
methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate
CID 162402314
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
CID 10825029
methyl 5-bromo-3-phenyl-1,2-thiazole-4-carboxylate
CID 121006068

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
The IUPAC name of methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate (CID 12948316) is methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate.
What is the SMILES notation for methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
The canonical SMILES for methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate is COC(=O)c1c(-c2ccccc2)nn2c1-c1ccccc1CC2.
What is the InChIKey of methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
The InChIKey is CIFPMUZYFJVGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-19(22)16-17(14-8-3-2-4-9-14)20-21-12-11-13-7-5-6-10-15(13)18(16)21/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate is sourced from PubChem (CID 12948316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).