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

C9H16BrN3 — CID 62441347

IUPAC3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cn1cc(Br)cn1
InChIInChI=1S/C9H16BrN3/c1-3-11-4-8(2)6-13-7-9(10)5-12-13/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyLQYXTDWGRHMIKS-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.89
Rot. Bonds5

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

3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 62441347) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID62441347
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC Name3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cn1cc(Br)cn1
InChIInChI=1S/C9H16BrN3/c1-3-11-4-8(2)6-13-7-9(10)5-12-13/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyLQYXTDWGRHMIKS-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
CID 62441346
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
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
4-bromo-1-(2-methoxypropyl)pyrazole
CID 66760407
4-bromo-1-(2,2-diethoxyethyl)pyrazole
CID 19616899
N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 62730479
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
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62566789

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine (CID 62441347) is 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)Cn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is LQYXTDWGRHMIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-3-11-4-8(2)6-13-7-9(10)5-12-13/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine?
3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 246.15 g/mol, XLogP of 1.89, 5 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-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62441347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).