potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate

C5H4F3KN2O — CID 23687983

IUPACpotassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate
SMILESCn1nc(C(F)(F)F)cc1[O-].[K+]
InChIInChI=1S/C5H5F3N2O.K/c1-10-4(11)2-3(9-10)5(6,7)8;/h2,11H,1H3;/q;+1/p-1
InChIKeyBZCOQVUQRZCLDS-UHFFFAOYSA-M
MW204.19 g/mol
LogP-2.48
Rot. Bonds

About potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate

potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate (PubChem CID 23687983) has the molecular formula C5H4F3KN2O and a molecular weight of 204.19 g/mol. Its IUPAC name is potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate.

Molecular Properties

Compound Namepotassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate
PubChem CID23687983
Molecular FormulaC5H4F3KN2O
Molecular Weight204.19 g/mol
Exact Mass203.99
IUPAC Namepotassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate
SMILESCn1nc(C(F)(F)F)cc1[O-].[K+]
InChIInChI=1S/C5H5F3N2O.K/c1-10-4(11)2-3(9-10)5(6,7)8;/h2,11H,1H3;/q;+1/p-1
InChIKeyBZCOQVUQRZCLDS-UHFFFAOYSA-M
XLogP-2.48
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate?
The IUPAC name of potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate (CID 23687983) is potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate.
What is the SMILES notation for potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate?
The canonical SMILES for potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate is Cn1nc(C(F)(F)F)cc1[O-].[K+].
What is the InChIKey of potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate?
The InChIKey is BZCOQVUQRZCLDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5F3N2O.K/c1-10-4(11)2-3(9-10)5(6,7)8;/h2,11H,1H3;/q;+1/p-1.
What are the key properties of potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate?
potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate has a molecular weight of 204.19 g/mol, XLogP of -2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methyl-3-(trifluoromethyl)pyrazol-5-olate is sourced from PubChem (CID 23687983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).