2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine

C8H14BrN3 — CID 62440968

IUPAC2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)n1cc(Br)cn1
InChIInChI=1S/C8H14BrN3/c1-3-8(5-10-2)12-6-7(9)4-11-12/h4,6,8,10H,3,5H2,1-2H3
InChIKeyIQOVJRPQDACYRV-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine

2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine (PubChem CID 62440968) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
PubChem CID62440968
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)n1cc(Br)cn1
InChIInChI=1S/C8H14BrN3/c1-3-8(5-10-2)12-6-7(9)4-11-12/h4,6,8,10H,3,5H2,1-2H3
InChIKeyIQOVJRPQDACYRV-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine (CID 62440968) is 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine is CCC(CNC)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine?
The InChIKey is IQOVJRPQDACYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-3-8(5-10-2)12-6-7(9)4-11-12/h4,6,8,10H,3,5H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine?
2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 62440968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).