4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide

C18H14N4O — CID 57334621

IUPAC4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide
SMILESCc1cc(-c2ccc(C#N)cc2)n(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C18H14N4O/c1-12-10-17(14-4-2-13(11-19)3-5-14)22(21-12)16-8-6-15(7-9-16)18(20)23/h2-10H,1H3,(H2,20,23)
InChIKeyDDMDZRAXVSMLGY-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds3

About 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide

4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide (PubChem CID 57334621) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide
PubChem CID57334621
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide
SMILESCc1cc(-c2ccc(C#N)cc2)n(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C18H14N4O/c1-12-10-17(14-4-2-13(11-19)3-5-14)22(21-12)16-8-6-15(7-9-16)18(20)23/h2-10H,1H3,(H2,20,23)
InChIKeyDDMDZRAXVSMLGY-UHFFFAOYSA-N
XLogP2.82
TPSA84.70 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide (CID 57334621) is 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide is Cc1cc(-c2ccc(C#N)cc2)n(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide?
The InChIKey is DDMDZRAXVSMLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-10-17(14-4-2-13(11-19)3-5-14)22(21-12)16-8-6-15(7-9-16)18(20)23/h2-10H,1H3,(H2,20,23).
What are the key properties of 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide?
4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide has a molecular weight of 302.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide is sourced from PubChem (CID 57334621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).