potassium 1-(4-chlorophenyl)pyrazol-3-olate

C9H6ClKN2O — CID 23721267

IUPACpotassium 1-(4-chlorophenyl)pyrazol-3-olate
SMILES[K+].[O-]c1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H7ClN2O.K/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12;/h1-6H,(H,11,13);/q;+1/p-1
InChIKeyFAJYCQVOYNUHTG-UHFFFAOYSA-M
MW232.71 g/mol
LogP-1.40
Rot. Bonds1

About potassium 1-(4-chlorophenyl)pyrazol-3-olate

potassium 1-(4-chlorophenyl)pyrazol-3-olate (PubChem CID 23721267) has the molecular formula C9H6ClKN2O and a molecular weight of 232.71 g/mol. Its IUPAC name is potassium 1-(4-chlorophenyl)pyrazol-3-olate.

Molecular Properties

Compound Namepotassium 1-(4-chlorophenyl)pyrazol-3-olate
PubChem CID23721267
Molecular FormulaC9H6ClKN2O
Molecular Weight232.71 g/mol
Exact Mass231.98
IUPAC Namepotassium 1-(4-chlorophenyl)pyrazol-3-olate
SMILES[K+].[O-]c1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H7ClN2O.K/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12;/h1-6H,(H,11,13);/q;+1/p-1
InChIKeyFAJYCQVOYNUHTG-UHFFFAOYSA-M
XLogP-1.40
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 1-(4-chlorophenyl)pyrazol-3-olate?
The IUPAC name of potassium 1-(4-chlorophenyl)pyrazol-3-olate (CID 23721267) is potassium 1-(4-chlorophenyl)pyrazol-3-olate.
What is the SMILES notation for potassium 1-(4-chlorophenyl)pyrazol-3-olate?
The canonical SMILES for potassium 1-(4-chlorophenyl)pyrazol-3-olate is [K+].[O-]c1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of potassium 1-(4-chlorophenyl)pyrazol-3-olate?
The InChIKey is FAJYCQVOYNUHTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7ClN2O.K/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12;/h1-6H,(H,11,13);/q;+1/p-1.
What are the key properties of potassium 1-(4-chlorophenyl)pyrazol-3-olate?
potassium 1-(4-chlorophenyl)pyrazol-3-olate has a molecular weight of 232.71 g/mol, XLogP of -1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4-chlorophenyl)pyrazol-3-olate is sourced from PubChem (CID 23721267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).