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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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).