4-(1-phenylpyrazol-4-yl)quinoline

C18H13N3 — CID 3525815

IUPAC4-(1-phenylpyrazol-4-yl)quinoline
SMILESc1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1
InChIInChI=1S/C18H13N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-13H
InChIKeyGLJRDKAYQYOCDN-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds2

About 4-(1-phenylpyrazol-4-yl)quinoline

4-(1-phenylpyrazol-4-yl)quinoline (PubChem CID 3525815) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)quinoline
PubChem CID3525815
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name4-(1-phenylpyrazol-4-yl)quinoline
SMILESc1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1
InChIInChI=1S/C18H13N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-13H
InChIKeyGLJRDKAYQYOCDN-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)quinoline (CID 3525815) is 4-(1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)quinoline is c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)quinoline?
The InChIKey is GLJRDKAYQYOCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-13H.
What are the key properties of 4-(1-phenylpyrazol-4-yl)quinoline?
4-(1-phenylpyrazol-4-yl)quinoline has a molecular weight of 271.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 3525815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).