N-(1,3-diphenylpyrazol-4-yl)benzamide

C22H17N3O — CID 2110831

IUPACN-(1,3-diphenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26)
InChIKeyUUVRLWUZZUEUAS-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.79
Rot. Bonds4

About N-(1,3-diphenylpyrazol-4-yl)benzamide

N-(1,3-diphenylpyrazol-4-yl)benzamide (PubChem CID 2110831) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-4-yl)benzamide
PubChem CID2110831
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-(1,3-diphenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26)
InChIKeyUUVRLWUZZUEUAS-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.79
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-4-yl)benzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-4-yl)benzamide (CID 2110831) is N-(1,3-diphenylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-4-yl)benzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-4-yl)benzamide is O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-4-yl)benzamide?
The InChIKey is UUVRLWUZZUEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26).
What are the key properties of N-(1,3-diphenylpyrazol-4-yl)benzamide?
N-(1,3-diphenylpyrazol-4-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.79, 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-4-yl)benzamide is sourced from PubChem (CID 2110831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).