1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

C16H22BrN3 — CID 62039401

IUPAC1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-3-16(13-6-4-8-15(17)10-13)18-9-5-7-14-11-19-20-12(14)2/h4,6,8,10-11,16,18H,3,5,7,9H2,1-2H3,(H,19,20)
InChIKeyFDMHGSWBZBRHQQ-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.15
Rot. Bonds7

About 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (PubChem CID 62039401) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
PubChem CID62039401
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-3-16(13-6-4-8-15(17)10-13)18-9-5-7-14-11-19-20-12(14)2/h4,6,8,10-11,16,18H,3,5,7,9H2,1-2H3,(H,19,20)
InChIKeyFDMHGSWBZBRHQQ-UHFFFAOYSA-N
XLogP4.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]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

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-phenylpropan-1-amine
CID 62040882
1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62040667
4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol
CID 62040234
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
1-(3-bromophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64547333
1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62040459
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
3-(5-methyl-1H-pyrazol-4-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 62037915
N-[1-(2,6-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62040022
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
3-[2-[1-(3-bromophenyl)propylamino]ethylsulfanyl]propan-1-ol
CID 113261268
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (CID 62039401) is 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is CCC(NCCCc1cn[nH]c1C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The InChIKey is FDMHGSWBZBRHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-3-16(13-6-4-8-15(17)10-13)18-9-5-7-14-11-19-20-12(14)2/h4,6,8,10-11,16,18H,3,5,7,9H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine has a molecular weight of 336.28 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 62039401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).