N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide

C16H11Cl2N3O — CID 46813346

IUPACN-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H11Cl2N3O/c17-12-8-13(18)10-14(9-12)20-16(22)11-2-4-15(5-3-11)21-7-1-6-19-21/h1-10H,(H,20,22)
InChIKeyYVGMYBTWKMAIRE-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.43
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide

N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide (PubChem CID 46813346) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
PubChem CID46813346
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC NameN-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H11Cl2N3O/c17-12-8-13(18)10-14(9-12)20-16(22)11-2-4-15(5-3-11)21-7-1-6-19-21/h1-10H,(H,20,22)
InChIKeyYVGMYBTWKMAIRE-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
CID 55369232
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
2-(3,5-dichlorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylphenyl)acetamide
CID 167744959
N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
CID 36561549
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 37044281
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 60968230
4-pyrazol-1-ylbenzoate
CID 5158283
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide (CID 46813346) is N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is YVGMYBTWKMAIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-12-8-13(18)10-14(9-12)20-16(22)11-2-4-15(5-3-11)21-7-1-6-19-21/h1-10H,(H,20,22).
What are the key properties of N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide?
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 332.19 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 46813346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).