3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride

C8H15BrClN3 — CID 90486278

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride
SMILESCc1nn(CCCN)c(C)c1Br.Cl
InChIInChI=1S/C8H14BrN3.ClH/c1-6-8(9)7(2)12(11-6)5-3-4-10;/h3-5,10H2,1-2H3;1H
InChIKeyAUFSCZQFGKFCME-UHFFFAOYSA-N
MW268.59 g/mol
LogP2.03
Rot. Bonds3

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride

3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride (PubChem CID 90486278) has the molecular formula C8H15BrClN3 and a molecular weight of 268.59 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride
PubChem CID90486278
Molecular FormulaC8H15BrClN3
Molecular Weight268.59 g/mol
Exact Mass267.01
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride
SMILESCc1nn(CCCN)c(C)c1Br.Cl
InChIInChI=1S/C8H14BrN3.ClH/c1-6-8(9)7(2)12(11-6)5-3-4-10;/h3-5,10H2,1-2H3;1H
InChIKeyAUFSCZQFGKFCME-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.59
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride (CID 90486278) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride is Cc1nn(CCCN)c(C)c1Br.Cl.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride?
The InChIKey is AUFSCZQFGKFCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3.ClH/c1-6-8(9)7(2)12(11-6)5-3-4-10;/h3-5,10H2,1-2H3;1H.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride has a molecular weight of 268.59 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 90486278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).