5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline

C24H19N3 — CID 2136911

IUPAC5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)c1
InChIInChI=1S/C24H19N3/c1-17-8-7-9-18(14-17)15-27-16-21-23(19-10-3-2-4-11-19)25-26-24(21)20-12-5-6-13-22(20)27/h2-14,16H,15H2,1H3
InChIKeyUBSWWJQZLDJYRP-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.56
Rot. Bonds3

About 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline

5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 2136911) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID2136911
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)c1
InChIInChI=1S/C24H19N3/c1-17-8-7-9-18(14-17)15-27-16-21-23(19-10-3-2-4-11-19)25-26-24(21)20-12-5-6-13-22(20)27/h2-14,16H,15H2,1H3
InChIKeyUBSWWJQZLDJYRP-UHFFFAOYSA-N
XLogP5.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline (CID 2136911) is 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline is Cc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is UBSWWJQZLDJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-17-8-7-9-18(14-17)15-27-16-21-23(19-10-3-2-4-11-19)25-26-24(21)20-12-5-6-13-22(20)27/h2-14,16H,15H2,1H3.
What are the key properties of 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 349.44 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2136911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).