5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile

C15H10N4 — CID 115487818

IUPAC5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C15H10N4/c16-8-14-6-7-15(10-17-14)19-11-13(9-18-19)12-4-2-1-3-5-12/h1-7,9-11H
InChIKeyDUDKVZFSLZTFIC-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.81
Rot. Bonds2

About 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile

5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile (PubChem CID 115487818) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile
PubChem CID115487818
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C15H10N4/c16-8-14-6-7-15(10-17-14)19-11-13(9-18-19)12-4-2-1-3-5-12/h1-7,9-11H
InChIKeyDUDKVZFSLZTFIC-UHFFFAOYSA-N
XLogP2.81
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile (CID 115487818) is 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile is N#Cc1ccc(-n2cc(-c3ccccc3)cn2)cn1.
What is the InChIKey of 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is DUDKVZFSLZTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-8-14-6-7-15(10-17-14)19-11-13(9-18-19)12-4-2-1-3-5-12/h1-7,9-11H.
What are the key properties of 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile?
5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 115487818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).