N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide

C23H19N3O — CID 11462332

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
InChIKeyIQSIXTDPSJCEFA-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.10
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide

N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide (PubChem CID 11462332) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide
PubChem CID11462332
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
InChIKeyIQSIXTDPSJCEFA-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-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide (CID 11462332) is N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide?
The InChIKey is IQSIXTDPSJCEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide?
N-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide 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-(1,3-diphenylpyrazol-5-yl)-4-methylbenzamide is sourced from PubChem (CID 11462332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).