(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride

C5H9BrClN3 — CID 91758961

IUPAC(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1cc(Br)c(CN)n1
InChIInChI=1S/C5H8BrN3.ClH/c1-9-3-4(6)5(2-7)8-9;/h3H,2,7H2,1H3;1H
InChIKeyBFYCGLLFUWXAOT-UHFFFAOYSA-N
MW226.50 g/mol
LogP1.06
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride

(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 91758961) has the molecular formula C5H9BrClN3 and a molecular weight of 226.50 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID91758961
Molecular FormulaC5H9BrClN3
Molecular Weight226.50 g/mol
Exact Mass224.97
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1cc(Br)c(CN)n1
InChIInChI=1S/C5H8BrN3.ClH/c1-9-3-4(6)5(2-7)8-9;/h3H,2,7H2,1H3;1H
InChIKeyBFYCGLLFUWXAOT-UHFFFAOYSA-N
XLogP1.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.50
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
CID 166449724
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride (CID 91758961) is (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride is Cl.Cn1cc(Br)c(CN)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is BFYCGLLFUWXAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3.ClH/c1-9-3-4(6)5(2-7)8-9;/h3H,2,7H2,1H3;1H.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride?
(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 226.50 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 91758961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).