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

C18H16N2O — CID 12948315

IUPAC2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3n(n2)CCc2ccccc2-3)cc1
InChIInChI=1S/C18H16N2O/c1-21-15-8-6-14(7-9-15)17-12-18-16-5-3-2-4-13(16)10-11-20(18)19-17/h2-9,12H,10-11H2,1H3
InChIKeyVEVHDNRMEJVYAY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.78
Rot. Bonds2

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

2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline (PubChem CID 12948315) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
PubChem CID12948315
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3n(n2)CCc2ccccc2-3)cc1
InChIInChI=1S/C18H16N2O/c1-21-15-8-6-14(7-9-15)17-12-18-16-5-3-2-4-13(16)10-11-20(18)19-17/h2-9,12H,10-11H2,1H3
InChIKeyVEVHDNRMEJVYAY-UHFFFAOYSA-N
XLogP3.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
CID 132991253
2-(4-methoxyphenyl)-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589373
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide
CID 21239826
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587123
2-[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(1-phenylethyl)acetamide
CID 53050981
5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589392
12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 10065351
7-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-one
CID 56956509
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
CID 102237047

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline (CID 12948315) is 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline is COc1ccc(-c2cc3n(n2)CCc2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
The InChIKey is VEVHDNRMEJVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-21-15-8-6-14(7-9-15)17-12-18-16-5-3-2-4-13(16)10-11-20(18)19-17/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline has a molecular weight of 276.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 12948315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).