1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese

C16H21Cl2MnN6- — CID 67524753

IUPAC1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese
SMILESCc1cc(C)n([C-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cl[Mn]Cl
InChIInChI=1S/C16H21N6.2ClH.Mn/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;;/h7-9H,1-6H3;2*1H;/q-1;;;+2/p-2
InChIKeyMKWADUOVGWFXDP-UHFFFAOYSA-L
MW423.23 g/mol
LogP3.89
Rot. Bonds3

About 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese

1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese (PubChem CID 67524753) has the molecular formula C16H21Cl2MnN6- and a molecular weight of 423.23 g/mol. Its IUPAC name is 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese.

Molecular Properties

Compound Name1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese
PubChem CID67524753
Molecular FormulaC16H21Cl2MnN6-
Molecular Weight423.23 g/mol
Exact Mass422.06
IUPAC Name1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese
SMILESCc1cc(C)n([C-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cl[Mn]Cl
InChIInChI=1S/C16H21N6.2ClH.Mn/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;;/h7-9H,1-6H3;2*1H;/q-1;;;+2/p-2
InChIKeyMKWADUOVGWFXDP-UHFFFAOYSA-L
XLogP3.89
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese?
The IUPAC name of 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese (CID 67524753) is 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese.
What is the SMILES notation for 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese?
The canonical SMILES for 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese is Cc1cc(C)n([C-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cl[Mn]Cl.
What is the InChIKey of 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese?
The InChIKey is MKWADUOVGWFXDP-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H21N6.2ClH.Mn/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;;/h7-9H,1-6H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese?
1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese has a molecular weight of 423.23 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;dichloromanganese is sourced from PubChem (CID 67524753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).