1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

C13H16BrN3 — CID 55110447

IUPAC1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C13H16BrN3/c1-2-13(15)11-7-16-17(9-11)8-10-5-3-4-6-12(10)14/h3-7,9,13H,2,8,15H2,1H3
InChIKeyARPWAGGMZCGRJR-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.10
Rot. Bonds4

About 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 55110447) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID55110447
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C13H16BrN3/c1-2-13(15)11-7-16-17(9-11)8-10-5-3-4-6-12(10)14/h3-7,9,13H,2,8,15H2,1H3
InChIKeyARPWAGGMZCGRJR-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62829496
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110538
1-[1-[(3-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730081
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
1-[(2-bromo-4-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 62730571

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 55110447) is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is CCC(N)c1cnn(Cc2ccccc2Br)c1.
What is the InChIKey of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is ARPWAGGMZCGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-2-13(15)11-7-16-17(9-11)8-10-5-3-4-6-12(10)14/h3-7,9,13H,2,8,15H2,1H3.
What are the key properties of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 55110447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).