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

C14H18Cl2MnN6 — CID 22496979

IUPAC1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese
SMILESCc1ccn(C(C)(n2ccc(C)n2)n2ccc(C)n2)n1.Cl[Mn]Cl
InChIInChI=1S/C14H18N6.2ClH.Mn/c1-11-5-8-18(15-11)14(4,19-9-6-12(2)16-19)20-10-7-13(3)17-20;;;/h5-10H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyUSVQHLFIOBGWBW-UHFFFAOYSA-L
MW396.18 g/mol
LogP3.30
Rot. Bonds3

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

1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese (PubChem CID 22496979) has the molecular formula C14H18Cl2MnN6 and a molecular weight of 396.18 g/mol. Its IUPAC name is 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese.

Molecular Properties

Compound Name1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese
PubChem CID22496979
Molecular FormulaC14H18Cl2MnN6
Molecular Weight396.18 g/mol
Exact Mass395.04
IUPAC Name1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese
SMILESCc1ccn(C(C)(n2ccc(C)n2)n2ccc(C)n2)n1.Cl[Mn]Cl
InChIInChI=1S/C14H18N6.2ClH.Mn/c1-11-5-8-18(15-11)14(4,19-9-6-12(2)16-19)20-10-7-13(3)17-20;;;/h5-10H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyUSVQHLFIOBGWBW-UHFFFAOYSA-L
XLogP3.30
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese?
The IUPAC name of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese (CID 22496979) is 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese.
What is the SMILES notation for 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese?
The canonical SMILES for 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese is Cc1ccn(C(C)(n2ccc(C)n2)n2ccc(C)n2)n1.Cl[Mn]Cl.
What is the InChIKey of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese?
The InChIKey is USVQHLFIOBGWBW-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H18N6.2ClH.Mn/c1-11-5-8-18(15-11)14(4,19-9-6-12(2)16-19)20-10-7-13(3)17-20;;;/h5-10H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese?
1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese has a molecular weight of 396.18 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole;dichloromanganese is sourced from PubChem (CID 22496979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).