1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine

C15H20BrN3 — CID 112700089

IUPAC1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCn1cccn1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-2-15(13-5-7-14(16)8-6-13)17-9-3-11-19-12-4-10-18-19/h4-8,10,12,15,17H,2-3,9,11H2,1H3
InChIKeyWOYJJSBMOUYGKQ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.78
Rot. Bonds7

About 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine

1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine (PubChem CID 112700089) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
PubChem CID112700089
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCn1cccn1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-2-15(13-5-7-14(16)8-6-13)17-9-3-11-19-12-4-10-18-19/h4-8,10,12,15,17H,2-3,9,11H2,1H3
InChIKeyWOYJJSBMOUYGKQ-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 54951481
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
1-(4-phenoxyphenyl)-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 166338628
N-[3-[1-(4-bromophenyl)propylamino]propyl]methanesulfonamide
CID 103776673
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine
CID 82941084
1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60694668

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine (CID 112700089) is 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine is CCC(NCCCn1cccn1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
The InChIKey is WOYJJSBMOUYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-2-15(13-5-7-14(16)8-6-13)17-9-3-11-19-12-4-10-18-19/h4-8,10,12,15,17H,2-3,9,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 112700089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).