N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C20H20BrN3O — CID 46469513

IUPACN-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCC(NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H20BrN3O/c1-2-19(16-6-8-17(21)9-7-16)23-20(25)14-15-4-10-18(11-5-15)24-13-3-12-22-24/h3-13,19H,2,14H2,1H3,(H,23,25)
InChIKeyHWKNJTVJZCBXIQ-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.44
Rot. Bonds6

About N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 46469513) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID46469513
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCC(NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H20BrN3O/c1-2-19(16-6-8-17(21)9-7-16)23-20(25)14-15-4-10-18(11-5-15)24-13-3-12-22-24/h3-13,19H,2,14H2,1H3,(H,23,25)
InChIKeyHWKNJTVJZCBXIQ-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 112823910
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46474166
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
1-(4-bromophenyl)pyrazole
CID 10443564
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758916
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
CID 41099576
1-(4-pyrazol-1-ylphenyl)propan-1-amine
CID 103693301
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-bromophenyl)propyl]propanamide
CID 46418106
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 111461001
N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 18110876

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 46469513) is N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide is CCC(NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is HWKNJTVJZCBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-2-19(16-6-8-17(21)9-7-16)23-20(25)14-15-4-10-18(11-5-15)24-13-3-12-22-24/h3-13,19H,2,14H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 398.30 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 46469513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).