3-phenyl-5-(1H-pyrazol-5-yl)pyridine

C14H11N3 — CID 90751414

IUPAC3-phenyl-5-(1H-pyrazol-5-yl)pyridine
SMILESc1ccc(-c2cncc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C14H11N3/c1-2-4-11(5-3-1)12-8-13(10-15-9-12)14-6-7-16-17-14/h1-10H,(H,16,17)
InChIKeyQJOWJKJFOCEBAD-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.14
Rot. Bonds2

About 3-phenyl-5-(1H-pyrazol-5-yl)pyridine

3-phenyl-5-(1H-pyrazol-5-yl)pyridine (PubChem CID 90751414) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-phenyl-5-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-phenyl-5-(1H-pyrazol-5-yl)pyridine
PubChem CID90751414
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-phenyl-5-(1H-pyrazol-5-yl)pyridine
SMILESc1ccc(-c2cncc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C14H11N3/c1-2-4-11(5-3-1)12-8-13(10-15-9-12)14-6-7-16-17-14/h1-10H,(H,16,17)
InChIKeyQJOWJKJFOCEBAD-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 3-phenyl-5-(1H-pyrazol-5-yl)pyridine (CID 90751414) is 3-phenyl-5-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 3-phenyl-5-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 3-phenyl-5-(1H-pyrazol-5-yl)pyridine is c1ccc(-c2cncc(-c3ccn[nH]3)c2)cc1.
What is the InChIKey of 3-phenyl-5-(1H-pyrazol-5-yl)pyridine?
The InChIKey is QJOWJKJFOCEBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-4-11(5-3-1)12-8-13(10-15-9-12)14-6-7-16-17-14/h1-10H,(H,16,17).
What are the key properties of 3-phenyl-5-(1H-pyrazol-5-yl)pyridine?
3-phenyl-5-(1H-pyrazol-5-yl)pyridine has a molecular weight of 221.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 90751414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).