2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

C10H6ClF3N2O — CID 17168661

IUPAC2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClF3N2O/c11-6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(12,13)14/h1-5,15H
InChIKeyRJAVFPJSNYFSKY-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.84
Rot. Bonds1

About 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 17168661) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID17168661
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClF3N2O/c11-6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(12,13)14/h1-5,15H
InChIKeyRJAVFPJSNYFSKY-UHFFFAOYSA-N
XLogP2.84
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 17168661) is 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is O=c1cc(C(F)(F)F)[nH]n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is RJAVFPJSNYFSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(12,13)14/h1-5,15H.
What are the key properties of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 262.62 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 17168661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).