N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide

C17H14BrN3O — CID 71758813

IUPACN-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14BrN3O/c1-12-11-14(18)5-8-16(12)20-17(22)13-3-6-15(7-4-13)21-10-2-9-19-21/h2-11H,1H3,(H,20,22)
InChIKeyRYGYBHKEQVAUQR-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.20
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide

N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide (PubChem CID 71758813) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
PubChem CID71758813
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14BrN3O/c1-12-11-14(18)5-8-16(12)20-17(22)13-3-6-15(7-4-13)21-10-2-9-19-21/h2-11H,1H3,(H,20,22)
InChIKeyRYGYBHKEQVAUQR-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 56765908
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
N-(6-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzamide
CID 35505245
2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 78812019
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide (CID 71758813) is N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide is Cc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is RYGYBHKEQVAUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-12-11-14(18)5-8-16(12)20-17(22)13-3-6-15(7-4-13)21-10-2-9-19-21/h2-11H,1H3,(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide?
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 356.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 71758813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).