4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide

C13H9N5O — CID 112723104

IUPAC4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
SMILESCn1ncc(C#N)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H9N5O/c1-18-12(11(7-15)8-16-18)17-13(19)10-4-2-9(6-14)3-5-10/h2-5,8H,1H3,(H,17,19)
InChIKeyTUYDBNSLGZOAOU-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.42
Rot. Bonds2

About 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide

4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide (PubChem CID 112723104) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
PubChem CID112723104
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
SMILESCn1ncc(C#N)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H9N5O/c1-18-12(11(7-15)8-16-18)17-13(19)10-4-2-9(6-14)3-5-10/h2-5,8H,1H3,(H,17,19)
InChIKeyTUYDBNSLGZOAOU-UHFFFAOYSA-N
XLogP1.42
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
CID 79503285
N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108737103
N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 108806769
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide
CID 19475491
N-(4-cyano-1-methylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 112723801
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438
N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
CID 113220542
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 79503185

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide?
The IUPAC name of 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide (CID 112723104) is 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide?
The canonical SMILES for 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide is Cn1ncc(C#N)c1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide?
The InChIKey is TUYDBNSLGZOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c1-18-12(11(7-15)8-16-18)17-13(19)10-4-2-9(6-14)3-5-10/h2-5,8H,1H3,(H,17,19).
What are the key properties of 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide?
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide has a molecular weight of 251.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide is sourced from PubChem (CID 112723104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).