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

C17H24Cl2MnN6 — CID 22496966

IUPAC1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese
SMILESCc1cc(C)n(C(C)(n2nc(C)cc2C)n2nc(C)cc2C)n1.Cl[Mn]Cl
InChIInChI=1S/C17H24N6.2ClH.Mn/c1-11-8-14(4)21(18-11)17(7,22-15(5)9-12(2)19-22)23-16(6)10-13(3)20-23;;;/h8-10H,1-7H3;2*1H;/q;;;+2/p-2
InChIKeyITUKTTZTIHWHNS-UHFFFAOYSA-L
MW438.27 g/mol
LogP4.23
Rot. Bonds3

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

1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese (PubChem CID 22496966) has the molecular formula C17H24Cl2MnN6 and a molecular weight of 438.27 g/mol. Its IUPAC name is 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese.

Molecular Properties

Compound Name1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese
PubChem CID22496966
Molecular FormulaC17H24Cl2MnN6
Molecular Weight438.27 g/mol
Exact Mass437.08
IUPAC Name1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese
SMILESCc1cc(C)n(C(C)(n2nc(C)cc2C)n2nc(C)cc2C)n1.Cl[Mn]Cl
InChIInChI=1S/C17H24N6.2ClH.Mn/c1-11-8-14(4)21(18-11)17(7,22-15(5)9-12(2)19-22)23-16(6)10-13(3)20-23;;;/h8-10H,1-7H3;2*1H;/q;;;+2/p-2
InChIKeyITUKTTZTIHWHNS-UHFFFAOYSA-L
XLogP4.23
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese?
The IUPAC name of 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese (CID 22496966) is 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese.
What is the SMILES notation for 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese?
The canonical SMILES for 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese is Cc1cc(C)n(C(C)(n2nc(C)cc2C)n2nc(C)cc2C)n1.Cl[Mn]Cl.
What is the InChIKey of 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese?
The InChIKey is ITUKTTZTIHWHNS-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H24N6.2ClH.Mn/c1-11-8-14(4)21(18-11)17(7,22-15(5)9-12(2)19-22)23-16(6)10-13(3)20-23;;;/h8-10H,1-7H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese?
1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese has a molecular weight of 438.27 g/mol, XLogP of 4.23, 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(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese is sourced from PubChem (CID 22496966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).