potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate

C11H7F3KN3O2 — CID 161274027

IUPACpotassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
SMILESNc1c(-c2cccc(C(F)(F)F)c2)n[nH]c1C(=O)[O-].[K+]
InChIInChI=1S/C11H8F3N3O2.K/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(18)19)17-16-8;/h1-4H,15H2,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyVEETYMNUIGRHJZ-UHFFFAOYSA-M
MW309.29 g/mol
LogP-1.95
Rot. Bonds2

About potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate

potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate (PubChem CID 161274027) has the molecular formula C11H7F3KN3O2 and a molecular weight of 309.29 g/mol. Its IUPAC name is potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namepotassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
PubChem CID161274027
Molecular FormulaC11H7F3KN3O2
Molecular Weight309.29 g/mol
Exact Mass309.01
IUPAC Namepotassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
SMILESNc1c(-c2cccc(C(F)(F)F)c2)n[nH]c1C(=O)[O-].[K+]
InChIInChI=1S/C11H8F3N3O2.K/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(18)19)17-16-8;/h1-4H,15H2,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyVEETYMNUIGRHJZ-UHFFFAOYSA-M
XLogP-1.95
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 4-hydroxy-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 160510816
4-[3-(trifluoromethyl)phenyl]-2H-phthalazine-1-thione
CID 106516682
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219293
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 163816150
5-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazole-3-carboxylate
CID 23365075
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
CID 70930857

Frequently Asked Questions

What is the IUPAC name of potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate (CID 161274027) is potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate is Nc1c(-c2cccc(C(F)(F)F)c2)n[nH]c1C(=O)[O-].[K+].
What is the InChIKey of potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate?
The InChIKey is VEETYMNUIGRHJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8F3N3O2.K/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(18)19)17-16-8;/h1-4H,15H2,(H,16,17)(H,18,19);/q;+1/p-1.
What are the key properties of potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate?
potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate has a molecular weight of 309.29 g/mol, XLogP of -1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 161274027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).