3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide

C22H16ClN3O — CID 11234162

IUPAC3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27)
InChIKeyRHNSCVAPLZDOCX-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.45
Rot. Bonds4

About 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide

3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide (PubChem CID 11234162) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide
PubChem CID11234162
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27)
InChIKeyRHNSCVAPLZDOCX-UHFFFAOYSA-N
XLogP5.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11625160
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide (CID 11234162) is 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
The InChIKey is RHNSCVAPLZDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27).
What are the key properties of 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide has a molecular weight of 373.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 11234162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).