2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine

C10H18BrN3O — CID 103227555

IUPAC2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)n1cc(Br)cn1
InChIInChI=1S/C10H18BrN3O/c1-3-4-12-6-10(8-15-2)14-7-9(11)5-13-14/h5,7,10,12H,3-4,6,8H2,1-2H3
InChIKeyUXDIRICVAZLZMO-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.83
Rot. Bonds7

About 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine

2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 103227555) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine
PubChem CID103227555
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)n1cc(Br)cn1
InChIInChI=1S/C10H18BrN3O/c1-3-4-12-6-10(8-15-2)14-7-9(11)5-13-14/h5,7,10,12H,3-4,6,8H2,1-2H3
InChIKeyUXDIRICVAZLZMO-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227554
N-[2-(4-bromopyrazol-1-yl)-2-phenylethyl]propan-1-amine
CID 62442515
3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 103227538
2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
CID 62440968
4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62442513
4-iodo-1-(1-methoxybutan-2-yl)pyrazole
CID 130312079
4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
CID 170273341
4-bromo-1-(2,4-dimethylpentan-3-yl)pyrazole
CID 130119514
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
CID 62442905
2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine
CID 103227543
N-methyl-2-(4-methylpyrazol-1-yl)pentan-1-amine
CID 83046028

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine (CID 103227555) is 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is UXDIRICVAZLZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-3-4-12-6-10(8-15-2)14-7-9(11)5-13-14/h5,7,10,12H,3-4,6,8H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine?
2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 276.18 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103227555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).