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

C18H14N4O — CID 24981324

IUPAC4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O/c1-13-11-17(22(21-13)16-5-3-2-4-6-16)20-18(23)15-9-7-14(12-19)8-10-15/h2-11H,1H3,(H,20,23)
InChIKeyFDQQGKYETIJDPC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.30
Rot. Bonds3

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

4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 24981324) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID24981324
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O/c1-13-11-17(22(21-13)16-5-3-2-4-6-16)20-18(23)15-9-7-14(12-19)8-10-15/h2-11H,1H3,(H,20,23)
InChIKeyFDQQGKYETIJDPC-UHFFFAOYSA-N
XLogP3.30
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 24981324) is 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is FDQQGKYETIJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-13-11-17(22(21-13)16-5-3-2-4-6-16)20-18(23)15-9-7-14(12-19)8-10-15/h2-11H,1H3,(H,20,23).
What are the key properties of 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 24981324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).