3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine

C8H14BrN3 — CID 62441346

IUPAC3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cn1cc(Br)cn1
InChIInChI=1S/C8H14BrN3/c1-7(3-10-2)5-12-6-8(9)4-11-12/h4,6-7,10H,3,5H2,1-2H3
InChIKeyLZYMRASNKCDECG-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.50
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine

3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine (PubChem CID 62441346) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
PubChem CID62441346
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cn1cc(Br)cn1
InChIInChI=1S/C8H14BrN3/c1-7(3-10-2)5-12-6-8(9)4-11-12/h4,6-7,10H,3,5H2,1-2H3
InChIKeyLZYMRASNKCDECG-UHFFFAOYSA-N
XLogP1.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 62441347
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
4-bromo-1-(2-methoxypropyl)pyrazole
CID 66760407
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
CID 61036530
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
CID 62442905
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
CID 115890386
4-bromo-1-(2,2-diethoxyethyl)pyrazole
CID 19616899
2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
CID 62440968
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892783

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine (CID 62441346) is 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine is CNCC(C)Cn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is LZYMRASNKCDECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-7(3-10-2)5-12-6-8(9)4-11-12/h4,6-7,10H,3,5H2,1-2H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine?
3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62441346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).