2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine

C17H24BrN3 — CID 79430125

IUPAC2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
SMILESCCC(CC)n1ccc(CC(CN)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H24BrN3/c1-3-17(4-2)21-10-9-16(20-21)11-14(12-19)13-5-7-15(18)8-6-13/h5-10,14,17H,3-4,11-12,19H2,1-2H3
InChIKeyQQYCKMDUTRJALK-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.29
Rot. Bonds7

About 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine

2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine (PubChem CID 79430125) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
PubChem CID79430125
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
SMILESCCC(CC)n1ccc(CC(CN)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H24BrN3/c1-3-17(4-2)21-10-9-16(20-21)11-14(12-19)13-5-7-15(18)8-6-13/h5-10,14,17H,3-4,11-12,19H2,1-2H3
InChIKeyQQYCKMDUTRJALK-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine 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

3-[2-(4-bromophenyl)-3-chloropropyl]-1-pentan-3-ylpyrazole
CID 79433889
3-[3-bromo-2-(4-bromophenyl)propyl]-1-butan-2-ylpyrazole
CID 79434464
3-(3-chloro-2-phenylpropyl)-1-pentan-3-ylpyrazole
CID 66036141
2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 79431157
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-(4-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441726
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64786032
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
4-bromo-2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 79533903

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine (CID 79430125) is 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine is CCC(CC)n1ccc(CC(CN)c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is QQYCKMDUTRJALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-3-17(4-2)21-10-9-16(20-21)11-14(12-19)13-5-7-15(18)8-6-13/h5-10,14,17H,3-4,11-12,19H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 79430125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).