nickel;3-(trifluoromethyl)pyrazol-1-ide

C4H2F3N2Ni- — CID 178089313

IUPACnickel;3-(trifluoromethyl)pyrazol-1-ide
SMILESFC(F)(F)c1cc[n-]n1.[Ni]
InChIInChI=1S/C4H2F3N2.Ni/c5-4(6,7)3-1-2-8-9-3;/h1-2H;/q-1;
InChIKeyAMIJZSJELTVHHE-UHFFFAOYSA-N
MW193.76 g/mol
LogP1.06
Rot. Bonds

About nickel;3-(trifluoromethyl)pyrazol-1-ide

nickel;3-(trifluoromethyl)pyrazol-1-ide (PubChem CID 178089313) has the molecular formula C4H2F3N2Ni- and a molecular weight of 193.76 g/mol. Its IUPAC name is nickel;3-(trifluoromethyl)pyrazol-1-ide.

Molecular Properties

Compound Namenickel;3-(trifluoromethyl)pyrazol-1-ide
PubChem CID178089313
Molecular FormulaC4H2F3N2Ni-
Molecular Weight193.76 g/mol
Exact Mass192.95
IUPAC Namenickel;3-(trifluoromethyl)pyrazol-1-ide
SMILESFC(F)(F)c1cc[n-]n1.[Ni]
InChIInChI=1S/C4H2F3N2.Ni/c5-4(6,7)3-1-2-8-9-3;/h1-2H;/q-1;
InChIKeyAMIJZSJELTVHHE-UHFFFAOYSA-N
XLogP1.06
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.76
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)pyrazole
CID 1807034
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
3-(difluoromethyl)-1H-pyrazole
CID 23006208
1-(Trifluoromethylsulfinyl)pyrazole-3-carbonitrile
CID 67450803
5-ethynyl-1-(trifluoromethyl)-1H-pyrazole
CID 146013521
1-Bromodifluoromethylpyrazole
CID 129793318
5-Methyl-1H-pyrazol-1-amine
CID 12674533
3-Methyl-1H-pyrazol-1-amine
CID 12674534
methyl-1,2,4-Thiodiazol
CID 129633842
1,3-Bis(trifluoromethyl)pyrazole
CID 18006161
4-(Trifluoromethyl)triazine
CID 18008404
1-Nitro-3-(trifluoromethyl)-1H-pyrazole
CID 19620673

Frequently Asked Questions

What is the IUPAC name of nickel;3-(trifluoromethyl)pyrazol-1-ide?
The IUPAC name of nickel;3-(trifluoromethyl)pyrazol-1-ide (CID 178089313) is nickel;3-(trifluoromethyl)pyrazol-1-ide.
What is the SMILES notation for nickel;3-(trifluoromethyl)pyrazol-1-ide?
The canonical SMILES for nickel;3-(trifluoromethyl)pyrazol-1-ide is FC(F)(F)c1cc[n-]n1.[Ni].
What is the InChIKey of nickel;3-(trifluoromethyl)pyrazol-1-ide?
The InChIKey is AMIJZSJELTVHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N2.Ni/c5-4(6,7)3-1-2-8-9-3;/h1-2H;/q-1;.
What are the key properties of nickel;3-(trifluoromethyl)pyrazol-1-ide?
nickel;3-(trifluoromethyl)pyrazol-1-ide has a molecular weight of 193.76 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;3-(trifluoromethyl)pyrazol-1-ide is sourced from PubChem (CID 178089313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).