potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide

C36H33F2KN6O5 — CID 157101588

IUPACpotassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide
SMILESCCOC(=O)c1cn(-c2ccccn2)nc1CCc1ccc(F)cc1.O=C(O)c1cn(-c2ccccn2)nc1CCc1ccc(F)cc1.[K+].[OH-]
InChIInChI=1S/C19H18FN3O2.C17H14FN3O2.K.H2O/c1-2-25-19(24)16-13-23(18-5-3-4-12-21-18)22-17(16)11-8-14-6-9-15(20)10-7-14;18-13-7-4-12(5-8-13)6-9-15-14(17(22)23)11-21(20-15)16-3-1-2-10-19-16;;/h3-7,9-10,12-13H,2,8,11H2,1H3;1-5,7-8,10-11H,6,9H2,(H,22,23);;1H2/q;;+1;/p-1
InChIKeyAFVBPCJAZUOZTI-UHFFFAOYSA-M
MW706.79 g/mol
LogP3.09
Rot. Bonds11

About potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide

potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide (PubChem CID 157101588) has the molecular formula C36H33F2KN6O5 and a molecular weight of 706.79 g/mol. Its IUPAC name is potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide.

Molecular Properties

Compound Namepotassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide
PubChem CID157101588
Molecular FormulaC36H33F2KN6O5
Molecular Weight706.79 g/mol
Exact Mass706.21
IUPAC Namepotassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide
SMILESCCOC(=O)c1cn(-c2ccccn2)nc1CCc1ccc(F)cc1.O=C(O)c1cn(-c2ccccn2)nc1CCc1ccc(F)cc1.[K+].[OH-]
InChIInChI=1S/C19H18FN3O2.C17H14FN3O2.K.H2O/c1-2-25-19(24)16-13-23(18-5-3-4-12-21-18)22-17(16)11-8-14-6-9-15(20)10-7-14;18-13-7-4-12(5-8-13)6-9-15-14(17(22)23)11-21(20-15)16-3-1-2-10-19-16;;/h3-7,9-10,12-13H,2,8,11H2,1H3;1-5,7-8,10-11H,6,9H2,(H,22,23);;1H2/q;;+1;/p-1
InChIKeyAFVBPCJAZUOZTI-UHFFFAOYSA-M
XLogP3.09
TPSA155.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide with MolForge

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Related Compounds

ethyl 3-(2-fluoroethyl)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 170337411
3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 142770564
ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate
CID 121305827
1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 63343432
ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130
ethyl 1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxylate
CID 46835601
2-chloro-5-[[3-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbonyl]amino]benzoic acid
CID 143451800
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 42637769
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
ethyl 1-benzyl-3-(2-oxoethyl)pyrazole-4-carboxylate
CID 135308878
ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 67167942

Frequently Asked Questions

What is the IUPAC name of potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide?
The IUPAC name of potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide (CID 157101588) is potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide.
What is the SMILES notation for potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide?
The canonical SMILES for potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide is CCOC(=O)c1cn(-c2ccccn2)nc1CCc1ccc(F)cc1.O=C(O)c1cn(-c2ccccn2)nc1CCc1ccc(F)cc1.[K+].[OH-].
What is the InChIKey of potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide?
The InChIKey is AFVBPCJAZUOZTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18FN3O2.C17H14FN3O2.K.H2O/c1-2-25-19(24)16-13-23(18-5-3-4-12-21-18)22-17(16)11-8-14-6-9-15(20)10-7-14;18-13-7-4-12(5-8-13)6-9-15-14(17(22)23)11-21(20-15)16-3-1-2-10-19-16;;/h3-7,9-10,12-13H,2,8,11H2,1H3;1-5,7-8,10-11H,6,9H2,(H,22,23);;1H2/q;;+1;/p-1.
What are the key properties of potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide?
potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide has a molecular weight of 706.79 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethyl 3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylate;3-[2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxylic acid;hydroxide is sourced from PubChem (CID 157101588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).