2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide

C21H22BrN3O3 — CID 171132838

IUPAC2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)COc2nn(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C21H22BrN3O3/c1-27-18-11-5-7-16(13-18)8-6-12-23-20(26)15-28-21-19(22)14-25(24-21)17-9-3-2-4-10-17/h2-5,7,9-11,13-14H,6,8,12,15H2,1H3,(H,23,26)
InChIKeyRVUSZAQEEOXPMI-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.77
Rot. Bonds9

About 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 171132838) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID171132838
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)COc2nn(-c3ccccc3)cc2Br)c1
InChIInChI=1S/C21H22BrN3O3/c1-27-18-11-5-7-16(13-18)8-6-12-23-20(26)15-28-21-19(22)14-25(24-21)17-9-3-2-4-10-17/h2-5,7,9-11,13-14H,6,8,12,15H2,1H3,(H,23,26)
InChIKeyRVUSZAQEEOXPMI-UHFFFAOYSA-N
XLogP3.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide 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-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide
CID 100829150
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(4-fluorophenyl)propyl]propanamide
CID 100830153
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 171132837

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 171132838) is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)COc2nn(-c3ccccc3)cc2Br)c1.
What is the InChIKey of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is RVUSZAQEEOXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-27-18-11-5-7-16(13-18)8-6-12-23-20(26)15-28-21-19(22)14-25(24-21)17-9-3-2-4-10-17/h2-5,7,9-11,13-14H,6,8,12,15H2,1H3,(H,23,26).
What are the key properties of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 444.33 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 171132838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).