3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide

C23H26BrN3O2 — CID 55769053

IUPAC3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(Cn3nc(C)cc3C)c2)cc1Br
InChIInChI=1S/C23H26BrN3O2/c1-16-11-17(2)27(26-16)15-20-6-4-5-19(12-20)14-25-23(28)10-8-18-7-9-22(29-3)21(24)13-18/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,25,28)
InChIKeyQUXPIOIJYDYMCA-UHFFFAOYSA-N
MW456.38 g/mol
LogP4.57
Rot. Bonds8

About 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide

3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 55769053) has the molecular formula C23H26BrN3O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID55769053
Molecular FormulaC23H26BrN3O2
Molecular Weight456.38 g/mol
Exact Mass455.12
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(Cn3nc(C)cc3C)c2)cc1Br
InChIInChI=1S/C23H26BrN3O2/c1-16-11-17(2)27(26-16)15-20-6-4-5-19(12-20)14-25-23(28)10-8-18-7-9-22(29-3)21(24)13-18/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,25,28)
InChIKeyQUXPIOIJYDYMCA-UHFFFAOYSA-N
XLogP4.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide 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

4-bromo-N-[3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]benzamide
CID 55769248
3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466173
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-(2-fluorophenoxy)butanamide
CID 55961180
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
CID 65339133
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide
CID 46978772
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 94028971

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide (CID 55769053) is 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide is COc1ccc(CCC(=O)NCc2cccc(Cn3nc(C)cc3C)c2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is QUXPIOIJYDYMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O2/c1-16-11-17(2)27(26-16)15-20-6-4-5-19(12-20)14-25-23(28)10-8-18-7-9-22(29-3)21(24)13-18/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,25,28).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide?
3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 456.38 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 55769053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).