8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline

C25H19N3O — CID 1205496

IUPAC8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)n(-c3cccc4cccnc34)n2)cc1
InChIInChI=1S/C25H19N3O/c1-29-21-14-12-18(13-15-21)22-17-24(19-7-3-2-4-8-19)28(27-22)23-11-5-9-20-10-6-16-26-25(20)23/h2-17H,1H3
InChIKeyWDIBRJUXSSXQHS-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.76
Rot. Bonds4

About 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline

8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline (PubChem CID 1205496) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline.

Molecular Properties

Compound Name8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
PubChem CID1205496
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)n(-c3cccc4cccnc34)n2)cc1
InChIInChI=1S/C25H19N3O/c1-29-21-14-12-18(13-15-21)22-17-24(19-7-3-2-4-8-19)28(27-22)23-11-5-9-20-10-6-16-26-25(20)23/h2-17H,1H3
InChIKeyWDIBRJUXSSXQHS-UHFFFAOYSA-N
XLogP5.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline?
The IUPAC name of 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline (CID 1205496) is 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline.
What is the SMILES notation for 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline?
The canonical SMILES for 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline is COc1ccc(-c2cc(-c3ccccc3)n(-c3cccc4cccnc34)n2)cc1.
What is the InChIKey of 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline?
The InChIKey is WDIBRJUXSSXQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-29-21-14-12-18(13-15-21)22-17-24(19-7-3-2-4-8-19)28(27-22)23-11-5-9-20-10-6-16-26-25(20)23/h2-17H,1H3.
What are the key properties of 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline?
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline has a molecular weight of 377.45 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline is sourced from PubChem (CID 1205496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).