1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile

C24H20N4O — CID 4554156

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile
SMILESCc1cc(C)n(Cn2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)n1
InChIInChI=1S/C24H20N4O/c1-17-13-18(2)28(26-17)16-27-23(20-11-7-4-8-12-20)14-21(22(15-25)24(27)29)19-9-5-3-6-10-19/h3-14H,16H2,1-2H3
InChIKeyOEIDKUFKQLVCNU-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.37
Rot. Bonds4

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile

1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 4554156) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile
PubChem CID4554156
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile
SMILESCc1cc(C)n(Cn2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)n1
InChIInChI=1S/C24H20N4O/c1-17-13-18(2)28(26-17)16-27-23(20-11-7-4-8-12-20)14-21(22(15-25)24(27)29)19-9-5-3-6-10-19/h3-14H,16H2,1-2H3
InChIKeyOEIDKUFKQLVCNU-UHFFFAOYSA-N
XLogP4.37
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile (CID 4554156) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile is Cc1cc(C)n(Cn2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is OEIDKUFKQLVCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-17-13-18(2)28(26-17)16-27-23(20-11-7-4-8-12-20)14-21(22(15-25)24(27)29)19-9-5-3-6-10-19/h3-14H,16H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 380.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-2-oxo-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 4554156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).