2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide

C15H18BrN3O — CID 19537559

IUPAC2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)n1cc(Br)cn1)c1ccccc1
InChIInChI=1S/C15H18BrN3O/c1-3-14(12-7-5-4-6-8-12)18-15(20)11(2)19-10-13(16)9-17-19/h4-11,14H,3H2,1-2H3,(H,18,20)
InChIKeyPCPVHMUZLFINLW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide

2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide (PubChem CID 19537559) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
PubChem CID19537559
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)n1cc(Br)cn1)c1ccccc1
InChIInChI=1S/C15H18BrN3O/c1-3-14(12-7-5-4-6-8-12)18-15(20)11(2)19-10-13(16)9-17-19/h4-11,14H,3H2,1-2H3,(H,18,20)
InChIKeyPCPVHMUZLFINLW-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide 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

(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
CID 19538484
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide (CID 19537559) is 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)n1cc(Br)cn1)c1ccccc1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The InChIKey is PCPVHMUZLFINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-14(12-7-5-4-6-8-12)18-15(20)11(2)19-10-13(16)9-17-19/h4-11,14H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide has a molecular weight of 336.23 g/mol, XLogP of 3.47, 5 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-phenylpropyl)propanamide is sourced from PubChem (CID 19537559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).