5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline

C19H15BrN2O — CID 177154178

IUPAC5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
SMILESCc1cnn2c(Br)c(OCc3ccccc3)c3ccccc3c12
InChIInChI=1S/C19H15BrN2O/c1-13-11-21-22-17(13)15-9-5-6-10-16(15)18(19(22)20)23-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyCCQBTFFXMUXWNH-UHFFFAOYSA-N
MW367.25 g/mol
LogP5.14
Rot. Bonds3

About 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline

5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline (PubChem CID 177154178) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
PubChem CID177154178
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
SMILESCc1cnn2c(Br)c(OCc3ccccc3)c3ccccc3c12
InChIInChI=1S/C19H15BrN2O/c1-13-11-21-22-17(13)15-9-5-6-10-16(15)18(19(22)20)23-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyCCQBTFFXMUXWNH-UHFFFAOYSA-N
XLogP5.14
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
CID 177153364
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
2-bromo-5-phenylmethoxypyrazine
CID 46738200
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline (CID 177154178) is 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline is Cc1cnn2c(Br)c(OCc3ccccc3)c3ccccc3c12.
What is the InChIKey of 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
The InChIKey is CCQBTFFXMUXWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c1-13-11-21-22-17(13)15-9-5-6-10-16(15)18(19(22)20)23-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline has a molecular weight of 367.25 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 177154178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).