N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide

C14H16BrN3O — CID 47156459

IUPACN-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)C(C)n1cccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O/c1-10(12-4-6-13(15)7-5-12)17-14(19)11(2)18-9-3-8-16-18/h3-11H,1-2H3,(H,17,19)
InChIKeyZPCRTRWQTWWNGQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide

N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 47156459) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID47156459
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)C(C)n1cccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O/c1-10(12-4-6-13(15)7-5-12)17-14(19)11(2)18-9-3-8-16-18/h3-11H,1-2H3,(H,17,19)
InChIKeyZPCRTRWQTWWNGQ-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide 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

(2R)-2-pyrazol-1-yl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 35699099
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
CID 81004249
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 60731653
N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 104880147
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide (CID 47156459) is N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide is CC(NC(=O)C(C)n1cccn1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is ZPCRTRWQTWWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(12-4-6-13(15)7-5-12)17-14(19)11(2)18-9-3-8-16-18/h3-11H,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide?
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 322.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47156459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).