6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile

C16H12N4 — CID 62771151

IUPAC6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H12N4/c1-12-7-8-14(9-17)16(19-12)20-11-15(10-18-20)13-5-3-2-4-6-13/h2-8,10-11H,1H3
InChIKeyRKZMFPNUUXILCM-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.11
Rot. Bonds2

About 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile

6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile (PubChem CID 62771151) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile
PubChem CID62771151
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H12N4/c1-12-7-8-14(9-17)16(19-12)20-11-15(10-18-20)13-5-3-2-4-6-13/h2-8,10-11H,1H3
InChIKeyRKZMFPNUUXILCM-UHFFFAOYSA-N
XLogP3.11
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile (CID 62771151) is 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is RKZMFPNUUXILCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-12-7-8-14(9-17)16(19-12)20-11-15(10-18-20)13-5-3-2-4-6-13/h2-8,10-11H,1H3.
What are the key properties of 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile?
6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 62771151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).