4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine

C8H14BrN3 — CID 156890951

IUPAC4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1[nH]nc(NCC(C)C)c1Br
InChIInChI=1S/C8H14BrN3/c1-5(2)4-10-8-7(9)6(3)11-12-8/h5H,4H2,1-3H3,(H2,10,11,12)
InChIKeyZQLKFSARLUPISG-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine

4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 156890951) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID156890951
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1[nH]nc(NCC(C)C)c1Br
InChIInChI=1S/C8H14BrN3/c1-5(2)4-10-8-7(9)6(3)11-12-8/h5H,4H2,1-3H3,(H2,10,11,12)
InChIKeyZQLKFSARLUPISG-UHFFFAOYSA-N
XLogP2.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine (CID 156890951) is 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine is Cc1[nH]nc(NCC(C)C)c1Br.
What is the InChIKey of 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is ZQLKFSARLUPISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-5(2)4-10-8-7(9)6(3)11-12-8/h5H,4H2,1-3H3,(H2,10,11,12).
What are the key properties of 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 232.12 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 156890951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).