N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide

C17H14BrN3O — CID 55765069

IUPACN-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)c1
InChIInChI=1S/C17H14BrN3O/c1-12-10-19-21(11-12)16-7-5-13(6-8-16)17(22)20-15-4-2-3-14(18)9-15/h2-11H,1H3,(H,20,22)
InChIKeyJTIAPXUAKMFSFA-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.20
Rot. Bonds3

About N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide

N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 55765069) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID55765069
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)c1
InChIInChI=1S/C17H14BrN3O/c1-12-10-19-21(11-12)16-7-5-13(6-8-16)17(22)20-15-4-2-3-14(18)9-15/h2-11H,1H3,(H,20,22)
InChIKeyJTIAPXUAKMFSFA-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

4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49033681
tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate
CID 55849666
1-(4-bromophenyl)-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 50772851
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 87026056
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 167748936
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665
4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46438099
tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 55801691
4-(4-methylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55774228

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide (CID 55765069) is N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)c1.
What is the InChIKey of N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is JTIAPXUAKMFSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-12-10-19-21(11-12)16-7-5-13(6-8-16)17(22)20-15-4-2-3-14(18)9-15/h2-11H,1H3,(H,20,22).
What are the key properties of N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide?
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide 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-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 55765069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).