2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide

C20H20BrN3O — CID 52666297

IUPAC2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20BrN3O/c21-18-13-23-24(14-18)15-20(25)22-12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-14,19H,11-12,15H2,(H,22,25)
InChIKeyZBFLBVQLUWLHQY-UHFFFAOYSA-N
MW398.30 g/mol
LogP3.98
Rot. Bonds7

About 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide

2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide (PubChem CID 52666297) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
PubChem CID52666297
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20BrN3O/c21-18-13-23-24(14-18)15-20(25)22-12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-14,19H,11-12,15H2,(H,22,25)
InChIKeyZBFLBVQLUWLHQY-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
CID 58938041
N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801327
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
benzyl N-[3-(4-bromopyrazol-1-yl)propyl]carbamate
CID 130570425
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3,3-diphenylpropyl)acetamide
CID 7935615
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide (CID 52666297) is 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide is O=C(Cn1cc(Br)cn1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is ZBFLBVQLUWLHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c21-18-13-23-24(14-18)15-20(25)22-12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-14,19H,11-12,15H2,(H,22,25).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 398.30 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 52666297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).