3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide

C23H16N4O — CID 11494297

IUPAC3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(-c3ccccc3)cnn2-c2ccccc2)c1
InChIInChI=1S/C23H16N4O/c24-15-17-8-7-11-19(14-17)23(28)26-22-21(18-9-3-1-4-10-18)16-25-27(22)20-12-5-2-6-13-20/h1-14,16H,(H,26,28)
InChIKeyZNMCOYKAPQGPBZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.66
Rot. Bonds4

About 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide

3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide (PubChem CID 11494297) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide
PubChem CID11494297
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(-c3ccccc3)cnn2-c2ccccc2)c1
InChIInChI=1S/C23H16N4O/c24-15-17-8-7-11-19(14-17)23(28)26-22-21(18-9-3-1-4-10-18)16-25-27(22)20-12-5-2-6-13-20/h1-14,16H,(H,26,28)
InChIKeyZNMCOYKAPQGPBZ-UHFFFAOYSA-N
XLogP4.66
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide (CID 11494297) is 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide is N#Cc1cccc(C(=O)Nc2c(-c3ccccc3)cnn2-c2ccccc2)c1.
What is the InChIKey of 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide?
The InChIKey is ZNMCOYKAPQGPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-15-17-8-7-11-19(14-17)23(28)26-22-21(18-9-3-1-4-10-18)16-25-27(22)20-12-5-2-6-13-20/h1-14,16H,(H,26,28).
What are the key properties of 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide?
3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1,4-diphenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 11494297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).