methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate

C20H18N2O3 — CID 132991253

IUPACmethyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)nn2c1-c1ccccc1CC2
InChIInChI=1S/C20H18N2O3/c1-24-15-9-7-14(8-10-15)18-17(20(23)25-2)19-16-6-4-3-5-13(16)11-12-22(19)21-18/h3-10H,11-12H2,1-2H3
InChIKeyHQFRRKSMFRVTKR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.57
Rot. Bonds3

About methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate

methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate (PubChem CID 132991253) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
PubChem CID132991253
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)nn2c1-c1ccccc1CC2
InChIInChI=1S/C20H18N2O3/c1-24-15-9-7-14(8-10-15)18-17(20(23)25-2)19-16-6-4-3-5-13(16)11-12-22(19)21-18/h3-10H,11-12H2,1-2H3
InChIKeyHQFRRKSMFRVTKR-UHFFFAOYSA-N
XLogP3.57
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
CID 12948316
2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
CID 12948315
8-methoxy-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971390
2-(4-hydroxyphenyl)-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 143420484
methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
CID 177480040
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
2-[4-(anilinomethyl)phenyl]-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 143420482
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate
CID 102226718
methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
CID 175431840
methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
CID 10825029
(3S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 8569800

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate (CID 132991253) is methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate is COC(=O)c1c(-c2ccc(OC)cc2)nn2c1-c1ccccc1CC2.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
The InChIKey is HQFRRKSMFRVTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-15-9-7-14(8-10-15)18-17(20(23)25-2)19-16-6-4-3-5-13(16)11-12-22(19)21-18/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate?
methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate is sourced from PubChem (CID 132991253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).