2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide

C13H14BrN3O — CID 19524551

IUPAC2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1cc(Br)cn1)c1ccccc1
InChIInChI=1S/C13H14BrN3O/c1-10(11-5-3-2-4-6-11)16-13(18)9-17-8-12(14)7-15-17/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyIPXZPUXZZNQOEP-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide

2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 19524551) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID19524551
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1cc(Br)cn1)c1ccccc1
InChIInChI=1S/C13H14BrN3O/c1-10(11-5-3-2-4-6-11)16-13(18)9-17-8-12(14)7-15-17/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyIPXZPUXZZNQOEP-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
CID 52666297
(2S)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119361792
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 52666291
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
2-[4-(aminomethyl)triazol-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 115460194
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide (CID 19524551) is 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1cc(Br)cn1)c1ccccc1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is IPXZPUXZZNQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-10(11-5-3-2-4-6-11)16-13(18)9-17-8-12(14)7-15-17/h2-8,10H,9H2,1H3,(H,16,18).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 308.18 g/mol, XLogP of 2.52, 4 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 19524551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).