1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese

C13H6F9MnN6- — CID 87432421

IUPAC1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese
SMILESFC(F)(F)c1ccn([C-](n2ccc(C(F)(F)F)n2)n2ccc(C(F)(F)F)n2)n1.[Mn]
InChIInChI=1S/C13H6F9N6.Mn/c14-11(15,16)7-1-4-26(23-7)10(27-5-2-8(24-27)12(17,18)19)28-6-3-9(25-28)13(20,21)22;/h1-6H;/q-1;
InChIKeyRPOIXTDBXZZTOI-UHFFFAOYSA-N
MW472.15 g/mol
LogP3.72
Rot. Bonds3

About 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese

1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese (PubChem CID 87432421) has the molecular formula C13H6F9MnN6- and a molecular weight of 472.15 g/mol. Its IUPAC name is 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese.

Molecular Properties

Compound Name1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese
PubChem CID87432421
Molecular FormulaC13H6F9MnN6-
Molecular Weight472.15 g/mol
Exact Mass471.99
IUPAC Name1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese
SMILESFC(F)(F)c1ccn([C-](n2ccc(C(F)(F)F)n2)n2ccc(C(F)(F)F)n2)n1.[Mn]
InChIInChI=1S/C13H6F9N6.Mn/c14-11(15,16)7-1-4-26(23-7)10(27-5-2-8(24-27)12(17,18)19)28-6-3-9(25-28)13(20,21)22;/h1-6H;/q-1;
InChIKeyRPOIXTDBXZZTOI-UHFFFAOYSA-N
XLogP3.72
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese 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-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese?
The IUPAC name of 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese (CID 87432421) is 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese.
What is the SMILES notation for 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese?
The canonical SMILES for 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese is FC(F)(F)c1ccn([C-](n2ccc(C(F)(F)F)n2)n2ccc(C(F)(F)F)n2)n1.[Mn].
What is the InChIKey of 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese?
The InChIKey is RPOIXTDBXZZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F9N6.Mn/c14-11(15,16)7-1-4-26(23-7)10(27-5-2-8(24-27)12(17,18)19)28-6-3-9(25-28)13(20,21)22;/h1-6H;/q-1;.
What are the key properties of 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese?
1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese has a molecular weight of 472.15 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;manganese is sourced from PubChem (CID 87432421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).