4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile

C27H20N4O — CID 91587552

IUPAC4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile
SMILESN#CC1=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C=CNC1(O)c1ccccc1
InChIInChI=1S/C27H20N4O/c28-18-25-23(16-17-29-27(25,32)21-12-6-2-7-13-21)24-19-31(22-14-8-3-9-15-22)30-26(24)20-10-4-1-5-11-20/h1-17,19,29,32H
InChIKeyVFARDLABIRESHA-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.78
Rot. Bonds4

About 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile

4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 91587552) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile
PubChem CID91587552
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC Name4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile
SMILESN#CC1=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C=CNC1(O)c1ccccc1
InChIInChI=1S/C27H20N4O/c28-18-25-23(16-17-29-27(25,32)21-12-6-2-7-13-21)24-19-31(22-14-8-3-9-15-22)30-26(24)20-10-4-1-5-11-20/h1-17,19,29,32H
InChIKeyVFARDLABIRESHA-UHFFFAOYSA-N
XLogP4.78
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-triphenylpyrazole
CID 555882
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
2-(1,3-diphenylpyrazol-4-yl)-1,3-benzothiazole
CID 46870644
4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 171985433
2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 118727567
2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
2-(3,5-dimethylpyrazol-1-yl)-4-(1,3-diphenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135542004
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688371
3-(4-formyl-1-phenylpyrazol-3-yl)benzonitrile
CID 63990735
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile (CID 91587552) is 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile is N#CC1=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C=CNC1(O)c1ccccc1.
What is the InChIKey of 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is VFARDLABIRESHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O/c28-18-25-23(16-17-29-27(25,32)21-12-6-2-7-13-21)24-19-31(22-14-8-3-9-15-22)30-26(24)20-10-4-1-5-11-20/h1-17,19,29,32H.
What are the key properties of 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile?
4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 416.48 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylpyrazol-4-yl)-2-hydroxy-2-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 91587552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).