1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine

C8H14BrN3 — CID 84795219

IUPAC1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine
SMILESCn1ncc(CC(C)(C)N)c1Br
InChIInChI=1S/C8H14BrN3/c1-8(2,10)4-6-5-11-12(3)7(6)9/h5H,4,10H2,1-3H3
InChIKeyKZYJKSPCDNSJIJ-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.46
Rot. Bonds2

About 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine

1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine (PubChem CID 84795219) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine
PubChem CID84795219
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine
SMILESCn1ncc(CC(C)(C)N)c1Br
InChIInChI=1S/C8H14BrN3/c1-8(2,10)4-6-5-11-12(3)7(6)9/h5H,4,10H2,1-3H3
InChIKeyKZYJKSPCDNSJIJ-UHFFFAOYSA-N
XLogP1.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine (CID 84795219) is 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine is Cn1ncc(CC(C)(C)N)c1Br.
What is the InChIKey of 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine?
The InChIKey is KZYJKSPCDNSJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-8(2,10)4-6-5-11-12(3)7(6)9/h5H,4,10H2,1-3H3.
What are the key properties of 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine?
1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine has a molecular weight of 232.12 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 84795219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).