2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide

C20H20BrN3O — CID 42880595

IUPAC2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20BrN3O/c1-13(2)15-8-10-16(11-9-15)24-14(3)12-19(23-24)22-20(25)17-6-4-5-7-18(17)21/h4-13H,1-3H3,(H,22,23,25)
InChIKeyYTEOAYHJQHFLKG-UHFFFAOYSA-N
MW398.30 g/mol
LogP5.32
Rot. Bonds4

About 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide

2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide (PubChem CID 42880595) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
PubChem CID42880595
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20BrN3O/c1-13(2)15-8-10-16(11-9-15)24-14(3)12-19(23-24)22-20(25)17-6-4-5-7-18(17)21/h4-13H,1-3H3,(H,22,23,25)
InChIKeyYTEOAYHJQHFLKG-UHFFFAOYSA-N
XLogP5.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46107928
2-bromo-N-[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]benzamide
CID 46106953
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide
CID 17220107
2-bromo-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]benzamide
CID 46124548
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 18272438
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide (CID 42880595) is 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is YTEOAYHJQHFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-13(2)15-8-10-16(11-9-15)24-14(3)12-19(23-24)22-20(25)17-6-4-5-7-18(17)21/h4-13H,1-3H3,(H,22,23,25).
What are the key properties of 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide?
2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 398.30 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 42880595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).