1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese

C13H16Cl2MnN6 — CID 22497020

IUPAC1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese
SMILESCc1ccn(C(n2ccc(C)n2)n2ccc(C)n2)n1.Cl[Mn]Cl
InChIInChI=1S/C13H16N6.2ClH.Mn/c1-10-4-7-17(14-10)13(18-8-5-11(2)15-18)19-9-6-12(3)16-19;;;/h4-9,13H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNNGKGTYXEWTIBW-UHFFFAOYSA-L
MW382.16 g/mol
LogP3.13
Rot. Bonds3

About 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese

1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese (PubChem CID 22497020) has the molecular formula C13H16Cl2MnN6 and a molecular weight of 382.16 g/mol. Its IUPAC name is 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese.

Molecular Properties

Compound Name1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese
PubChem CID22497020
Molecular FormulaC13H16Cl2MnN6
Molecular Weight382.16 g/mol
Exact Mass381.02
IUPAC Name1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese
SMILESCc1ccn(C(n2ccc(C)n2)n2ccc(C)n2)n1.Cl[Mn]Cl
InChIInChI=1S/C13H16N6.2ClH.Mn/c1-10-4-7-17(14-10)13(18-8-5-11(2)15-18)19-9-6-12(3)16-19;;;/h4-9,13H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNNGKGTYXEWTIBW-UHFFFAOYSA-L
XLogP3.13
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese?
The IUPAC name of 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese (CID 22497020) is 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese.
What is the SMILES notation for 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese?
The canonical SMILES for 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese is Cc1ccn(C(n2ccc(C)n2)n2ccc(C)n2)n1.Cl[Mn]Cl.
What is the InChIKey of 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese?
The InChIKey is NNGKGTYXEWTIBW-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H16N6.2ClH.Mn/c1-10-4-7-17(14-10)13(18-8-5-11(2)15-18)19-9-6-12(3)16-19;;;/h4-9,13H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese?
1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese has a molecular weight of 382.16 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-methylpyrazol-1-yl)methyl]-3-methylpyrazole;dichloromanganese is sourced from PubChem (CID 22497020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).