magnesium;1-phenylpyrazole;chloride

C9H7ClMgN2 — CID 78065307

IUPACmagnesium;1-phenylpyrazole;chloride
SMILES[Cl-].[Mg+2].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.ClH.Mg/c1-2-5-9(6-3-1)11-8-4-7-10-11;;/h1-5,7-8H;1H;/q-1;;+2/p-1
InChIKeyAUMYRYLTJBLIMP-UHFFFAOYSA-M
MW202.93 g/mol
LogP-1.70
Rot. Bonds1

About magnesium;1-phenylpyrazole;chloride

magnesium;1-phenylpyrazole;chloride (PubChem CID 78065307) has the molecular formula C9H7ClMgN2 and a molecular weight of 202.93 g/mol. Its IUPAC name is magnesium;1-phenylpyrazole;chloride.

Molecular Properties

Compound Namemagnesium;1-phenylpyrazole;chloride
PubChem CID78065307
Molecular FormulaC9H7ClMgN2
Molecular Weight202.93 g/mol
Exact Mass202.01
IUPAC Namemagnesium;1-phenylpyrazole;chloride
SMILES[Cl-].[Mg+2].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.ClH.Mg/c1-2-5-9(6-3-1)11-8-4-7-10-11;;/h1-5,7-8H;1H;/q-1;;+2/p-1
InChIKeyAUMYRYLTJBLIMP-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 ≤ 500202.93
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'}

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Related Compounds

1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
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
2-(1H-pyrazol-1-yl)acetonitrile
CID 7017843
1-cyclopropyl-1H-pyrazole hydrochloride
CID 138040072
1-Chloromethylpyrazole
CID 12248302
1-Ethynyl-1H-pyrazole
CID 13511544
1-Propadienylpyrazole
CID 14787049

Frequently Asked Questions

What is the IUPAC name of magnesium;1-phenylpyrazole;chloride?
The IUPAC name of magnesium;1-phenylpyrazole;chloride (CID 78065307) is magnesium;1-phenylpyrazole;chloride.
What is the SMILES notation for magnesium;1-phenylpyrazole;chloride?
The canonical SMILES for magnesium;1-phenylpyrazole;chloride is [Cl-].[Mg+2].[c-]1ccccc1-n1cccn1.
What is the InChIKey of magnesium;1-phenylpyrazole;chloride?
The InChIKey is AUMYRYLTJBLIMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7N2.ClH.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;chloride?
magnesium;1-phenylpyrazole;chloride has a molecular weight of 202.93 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;chloride is sourced from PubChem (CID 78065307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).