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

C9H16BrN3 — CID 156891053

IUPAC4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC(C)C)c1Br
InChIInChI=1S/C9H16BrN3/c1-4-7-8(10)9(13-12-7)11-5-6(2)3/h6H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyJHZGXWCJWYNJRE-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.80
Rot. Bonds4

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

4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 156891053) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID156891053
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC Name4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC(C)C)c1Br
InChIInChI=1S/C9H16BrN3/c1-4-7-8(10)9(13-12-7)11-5-6(2)3/h6H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyJHZGXWCJWYNJRE-UHFFFAOYSA-N
XLogP2.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine (CID 156891053) is 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine is CCc1[nH]nc(NCC(C)C)c1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is JHZGXWCJWYNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-4-7-8(10)9(13-12-7)11-5-6(2)3/h6H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 246.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 156891053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).