N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide

C23H19N3O — CID 2104088

IUPACN-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c1-17-12-14-18(15-13-17)22-21(24-23(27)19-8-4-2-5-9-19)16-26(25-22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
InChIKeyXEINRQUSGHBJKD-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.10
Rot. Bonds4

About N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide

N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide (PubChem CID 2104088) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
PubChem CID2104088
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c1-17-12-14-18(15-13-17)22-21(24-23(27)19-8-4-2-5-9-19)16-26(25-22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
InChIKeyXEINRQUSGHBJKD-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide?
The IUPAC name of N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide (CID 2104088) is N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide is Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide?
The InChIKey is XEINRQUSGHBJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-12-14-18(15-13-17)22-21(24-23(27)19-8-4-2-5-9-19)16-26(25-22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27).
What are the key properties of N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide?
N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide has a molecular weight of 353.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide is sourced from PubChem (CID 2104088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).