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

C8H14BrN3O — CID 103227554

IUPAC2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)n1cc(Br)cn1
InChIInChI=1S/C8H14BrN3O/c1-10-4-8(6-13-2)12-5-7(9)3-11-12/h3,5,8,10H,4,6H2,1-2H3
InChIKeyBQJCAVOXRGADJI-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.05
Rot. Bonds5

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

2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine (PubChem CID 103227554) has the molecular formula C8H14BrN3O and a molecular weight of 248.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
PubChem CID103227554
Molecular FormulaC8H14BrN3O
Molecular Weight248.12 g/mol
Exact Mass247.03
IUPAC Name2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)n1cc(Br)cn1
InChIInChI=1S/C8H14BrN3O/c1-10-4-8(6-13-2)12-5-7(9)3-11-12/h3,5,8,10H,4,6H2,1-2H3
InChIKeyBQJCAVOXRGADJI-UHFFFAOYSA-N
XLogP1.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 103227538
2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103227555
2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
CID 62440968
N-methyl-2-(4-methylpyrazol-1-yl)pentan-1-amine
CID 83046028
3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
CID 62441346
4-iodo-1-(1-methoxybutan-2-yl)pyrazole
CID 130312079
4-bromo-1-(2,4-dimethylpentan-3-yl)pyrazole
CID 130119514
4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine
CID 103227543
2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227508
1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
CID 170273341
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine (CID 103227554) is 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine is CNCC(COC)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is BQJCAVOXRGADJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O/c1-10-4-8(6-13-2)12-5-7(9)3-11-12/h3,5,8,10H,4,6H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 248.12 g/mol, XLogP of 1.05, 5 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-methylpropan-1-amine is sourced from PubChem (CID 103227554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).