3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide

C23H23BrN4O2 — CID 112823671

IUPAC3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C23H23BrN4O2/c1-15(17-7-8-17)28-21(11-12-25-28)27-23(30)18-3-2-4-20(14-18)26-22(29)13-16-5-9-19(24)10-6-16/h2-6,9-12,14-15,17H,7-8,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyBVNIEJFCLBQHES-UHFFFAOYSA-N
MW467.37 g/mol
LogP5.05
Rot. Bonds7

About 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide

3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide (PubChem CID 112823671) has the molecular formula C23H23BrN4O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide
PubChem CID112823671
Molecular FormulaC23H23BrN4O2
Molecular Weight467.37 g/mol
Exact Mass466.10
IUPAC Name3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide
SMILESCC(C1CC1)n1nccc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C23H23BrN4O2/c1-15(17-7-8-17)28-21(11-12-25-28)27-23(30)18-3-2-4-20(14-18)26-22(29)13-16-5-9-19(24)10-6-16/h2-6,9-12,14-15,17H,7-8,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyBVNIEJFCLBQHES-UHFFFAOYSA-N
XLogP5.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.37
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)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

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
N-(3-chlorophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 60509085
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide
CID 166216918
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
piperidin-4-yl 3-[[2-[4-[(4-bromobenzoyl)amino]phenyl]acetyl]amino]benzoate
CID 166329576
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 8016935
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide (CID 112823671) is 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide is CC(C1CC1)n1nccc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide?
The InChIKey is BVNIEJFCLBQHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O2/c1-15(17-7-8-17)28-21(11-12-25-28)27-23(30)18-3-2-4-20(14-18)26-22(29)13-16-5-9-19(24)10-6-16/h2-6,9-12,14-15,17H,7-8,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide?
3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide has a molecular weight of 467.37 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 112823671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).