magnesium;1-phenylpyrazole;bromide

C9H7BrMgN2 — CID 13203472

IUPACmagnesium;1-phenylpyrazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.BrH.Mg/c1-2-5-9(6-3-1)11-8-4-7-10-11;;/h1-5,7-8H;1H;/q-1;;+2/p-1
InChIKeyXZINYRUVCUXULH-UHFFFAOYSA-M
MW247.38 g/mol
LogP-1.70
Rot. Bonds1

About magnesium;1-phenylpyrazole;bromide

magnesium;1-phenylpyrazole;bromide (PubChem CID 13203472) has the molecular formula C9H7BrMgN2 and a molecular weight of 247.38 g/mol. Its IUPAC name is magnesium;1-phenylpyrazole;bromide.

Molecular Properties

Compound Namemagnesium;1-phenylpyrazole;bromide
PubChem CID13203472
Molecular FormulaC9H7BrMgN2
Molecular Weight247.38 g/mol
Exact Mass245.96
IUPAC Namemagnesium;1-phenylpyrazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.BrH.Mg/c1-2-5-9(6-3-1)11-8-4-7-10-11;;/h1-5,7-8H;1H;/q-1;;+2/p-1
InChIKeyXZINYRUVCUXULH-UHFFFAOYSA-M
XLogP-1.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;1-phenylpyrazole;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-(2-bromoethyl)-1H-pyrazole
CID 642215
1-tert-Butyl-1H-pyrazole
CID 13469815
1-ethenyl-1H-pyrazole
CID 6420997
1-Propyl-1H-pyrazole
CID 12711096
1-isopropyl-1H-pyrazole
CID 13469816
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
2-(1H-pyrazol-1-yl)acetonitrile
CID 7017843
1-Ethynylpyrazole
CID 13511544
1-Propadienylpyrazole
CID 14787049
1-Isopropenylpyrazole
CID 21593523

Frequently Asked Questions

What is the IUPAC name of magnesium;1-phenylpyrazole;bromide?
The IUPAC name of magnesium;1-phenylpyrazole;bromide (CID 13203472) is magnesium;1-phenylpyrazole;bromide.
What is the SMILES notation for magnesium;1-phenylpyrazole;bromide?
The canonical SMILES for magnesium;1-phenylpyrazole;bromide is [Br-].[Mg+2].[c-]1ccccc1-n1cccn1.
What is the InChIKey of magnesium;1-phenylpyrazole;bromide?
The InChIKey is XZINYRUVCUXULH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7N2.BrH.Mg/c1-2-5-9(6-3-1)11-8-4-7-10-11;;/h1-5,7-8H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-phenylpyrazole;bromide?
magnesium;1-phenylpyrazole;bromide has a molecular weight of 247.38 g/mol, XLogP of -1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-phenylpyrazole;bromide is sourced from PubChem (CID 13203472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).