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

C17H13N5O — CID 4169668

IUPAC4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C17H13N5O/c1-12-10-16(22(21-12)15-4-2-3-9-19-15)20-17(23)14-7-5-13(11-18)6-8-14/h2-10H,1H3,(H,20,23)
InChIKeyIXJRMIPJCCJHPU-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.70
Rot. Bonds3

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

4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide (PubChem CID 4169668) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
PubChem CID4169668
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C17H13N5O/c1-12-10-16(22(21-12)15-4-2-3-9-19-15)20-17(23)14-7-5-13(11-18)6-8-14/h2-10H,1H3,(H,20,23)
InChIKeyIXJRMIPJCCJHPU-UHFFFAOYSA-N
XLogP2.70
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide (CID 4169668) is 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ccccn2)n1.
What is the InChIKey of 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
The InChIKey is IXJRMIPJCCJHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-12-10-16(22(21-12)15-4-2-3-9-19-15)20-17(23)14-7-5-13(11-18)6-8-14/h2-10H,1H3,(H,20,23).
What are the key properties of 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide?
4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide has a molecular weight of 303.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 4169668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).