3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide

C17H10N6O — CID 108738179

IUPAC3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(C#N)cnn2-c2ccccn2)c1
InChIInChI=1S/C17H10N6O/c18-9-12-4-3-5-13(8-12)17(24)22-16-14(10-19)11-21-23(16)15-6-1-2-7-20-15/h1-8,11H,(H,22,24)
InChIKeyZOOCYGBQIGXECE-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.26
Rot. Bonds3

About 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide

3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide (PubChem CID 108738179) has the molecular formula C17H10N6O and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
PubChem CID108738179
Molecular FormulaC17H10N6O
Molecular Weight314.31 g/mol
Exact Mass314.09
IUPAC Name3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(C#N)cnn2-c2ccccn2)c1
InChIInChI=1S/C17H10N6O/c18-9-12-4-3-5-13(8-12)17(24)22-16-14(10-19)11-21-23(16)15-6-1-2-7-20-15/h1-8,11H,(H,22,24)
InChIKeyZOOCYGBQIGXECE-UHFFFAOYSA-N
XLogP2.26
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
2-butan-2-yl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108760938
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108738030
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108760966
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 108760960
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108761002

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide (CID 108738179) is 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide is N#Cc1cccc(C(=O)Nc2c(C#N)cnn2-c2ccccn2)c1.
What is the InChIKey of 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide?
The InChIKey is ZOOCYGBQIGXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6O/c18-9-12-4-3-5-13(8-12)17(24)22-16-14(10-19)11-21-23(16)15-6-1-2-7-20-15/h1-8,11H,(H,22,24).
What are the key properties of 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide?
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide has a molecular weight of 314.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 108738179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).