fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole

C13H16CuFN2 — CID 140599675

IUPACfluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-c2ccn(C)n2)c(C)c1.F[Cu]
InChIInChI=1S/C13H16N2.Cu.FH/c1-9-7-10(2)13(11(3)8-9)12-5-6-15(4)14-12;;/h5-8H,1-4H3;;1H/q;+1;/p-1
InChIKeySIYJUOQOAIAMDS-UHFFFAOYSA-M
MW282.83 g/mol
LogP3.43
Rot. Bonds1

About fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole

fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole (PubChem CID 140599675) has the molecular formula C13H16CuFN2 and a molecular weight of 282.83 g/mol. Its IUPAC name is fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole.

Molecular Properties

Compound Namefluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole
PubChem CID140599675
Molecular FormulaC13H16CuFN2
Molecular Weight282.83 g/mol
Exact Mass282.06
IUPAC Namefluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-c2ccn(C)n2)c(C)c1.F[Cu]
InChIInChI=1S/C13H16N2.Cu.FH/c1-9-7-10(2)13(11(3)8-9)12-5-6-15(4)14-12;;/h5-8H,1-4H3;;1H/q;+1;/p-1
InChIKeySIYJUOQOAIAMDS-UHFFFAOYSA-M
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.83
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

triethyl-[[5-methyl-2-(1-methylpyrazol-3-yl)-3-(triethylsilylmethyl)phenyl]methyl]silane
CID 134844916
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CID 140621702
4-methyl-2-(1-methylpyrazol-3-yl)pyridine
CID 130225331
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
3-(2,6-dichlorophenyl)-1-methylpyrazole
CID 173078305
3-(4-chloro-2-methylphenyl)-1-methylpyrazole
CID 176555071
1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
CID 137458249
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 103135486
N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
CID 176940677
3-[2-(difluoromethoxy)-3-methylphenyl]-1-methylpyrazole
CID 167101169
4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132027

Frequently Asked Questions

What is the IUPAC name of fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole?
The IUPAC name of fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole (CID 140599675) is fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole.
What is the SMILES notation for fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole?
The canonical SMILES for fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole is Cc1cc(C)c(-c2ccn(C)n2)c(C)c1.F[Cu].
What is the InChIKey of fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole?
The InChIKey is SIYJUOQOAIAMDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N2.Cu.FH/c1-9-7-10(2)13(11(3)8-9)12-5-6-15(4)14-12;;/h5-8H,1-4H3;;1H/q;+1;/p-1.
What are the key properties of fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole?
fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole has a molecular weight of 282.83 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole is sourced from PubChem (CID 140599675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).