4-(5-phenyl-1H-pyrazol-4-yl)quinoline

C18H13N3 — CID 3539049

IUPAC4-(5-phenyl-1H-pyrazol-4-yl)quinoline
SMILESc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H13N3/c1-2-6-13(7-3-1)18-16(12-20-21-18)14-10-11-19-17-9-5-4-8-15(14)17/h1-12H,(H,20,21)
InChIKeyZNEAEMOGRAJFJZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.29
Rot. Bonds2

About 4-(5-phenyl-1H-pyrazol-4-yl)quinoline

4-(5-phenyl-1H-pyrazol-4-yl)quinoline (PubChem CID 3539049) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(5-phenyl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(5-phenyl-1H-pyrazol-4-yl)quinoline
PubChem CID3539049
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name4-(5-phenyl-1H-pyrazol-4-yl)quinoline
SMILESc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H13N3/c1-2-6-13(7-3-1)18-16(12-20-21-18)14-10-11-19-17-9-5-4-8-15(14)17/h1-12H,(H,20,21)
InChIKeyZNEAEMOGRAJFJZ-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1H-pyrazol-4-yl)quinoline?
The IUPAC name of 4-(5-phenyl-1H-pyrazol-4-yl)quinoline (CID 3539049) is 4-(5-phenyl-1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(5-phenyl-1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 4-(5-phenyl-1H-pyrazol-4-yl)quinoline is c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)cc1.
What is the InChIKey of 4-(5-phenyl-1H-pyrazol-4-yl)quinoline?
The InChIKey is ZNEAEMOGRAJFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-6-13(7-3-1)18-16(12-20-21-18)14-10-11-19-17-9-5-4-8-15(14)17/h1-12H,(H,20,21).
What are the key properties of 4-(5-phenyl-1H-pyrazol-4-yl)quinoline?
4-(5-phenyl-1H-pyrazol-4-yl)quinoline has a molecular weight of 271.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 3539049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).