magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide

C16H13BrMgN2 — CID 58163157

IUPACmagnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide
SMILESCc1c[c-]c(-n2nccc2-c2ccccc2)cc1.[Br-].[Mg+2]
InChIInChI=1S/C16H13N2.BrH.Mg/c1-13-7-9-15(10-8-13)18-16(11-12-17-18)14-5-3-2-4-6-14;;/h2-9,11-12H,1H3;1H;/q-1;;+2/p-1
InChIKeyIHCQDYBGTRILNZ-UHFFFAOYSA-M
MW337.50 g/mol
LogP0.27
Rot. Bonds2

About magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide

magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide (PubChem CID 58163157) has the molecular formula C16H13BrMgN2 and a molecular weight of 337.50 g/mol. Its IUPAC name is magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide.

Molecular Properties

Compound Namemagnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide
PubChem CID58163157
Molecular FormulaC16H13BrMgN2
Molecular Weight337.50 g/mol
Exact Mass336.01
IUPAC Namemagnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide
SMILESCc1c[c-]c(-n2nccc2-c2ccccc2)cc1.[Br-].[Mg+2]
InChIInChI=1S/C16H13N2.BrH.Mg/c1-13-7-9-15(10-8-13)18-16(11-12-17-18)14-5-3-2-4-6-14;;/h2-9,11-12H,1H3;1H;/q-1;;+2/p-1
InChIKeyIHCQDYBGTRILNZ-UHFFFAOYSA-M
XLogP0.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 50.27
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

Difenzoquat
CID 39425
1-benzyl-1H-indazole
CID 797066
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1-Phenyl-3-propyl-pyrazole
CID 57320331
Fezolamine
CID 54567
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
3-methyl-1-phenyl-1H-pyrazole
CID 70783
1-Methyl-1H-indazole
CID 139456

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide?
The IUPAC name of magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide (CID 58163157) is magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide.
What is the SMILES notation for magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide?
The canonical SMILES for magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide is Cc1c[c-]c(-n2nccc2-c2ccccc2)cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide?
The InChIKey is IHCQDYBGTRILNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N2.BrH.Mg/c1-13-7-9-15(10-8-13)18-16(11-12-17-18)14-5-3-2-4-6-14;;/h2-9,11-12H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide?
magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide has a molecular weight of 337.50 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;bromide is sourced from PubChem (CID 58163157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).