5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one

C10H5F6N3O — CID 66021883

IUPAC5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H5F6N3O/c11-9(12,13)5-1-2-7(17-4-5)19-8(20)3-6(18-19)10(14,15)16/h1-4,18H
InChIKeyLMCLDSJOSQPOHB-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.60
Rot. Bonds1

About 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one

5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one (PubChem CID 66021883) has the molecular formula C10H5F6N3O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
PubChem CID66021883
Molecular FormulaC10H5F6N3O
Molecular Weight297.16 g/mol
Exact Mass297.03
IUPAC Name5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H5F6N3O/c11-9(12,13)5-1-2-7(17-4-5)19-8(20)3-6(18-19)10(14,15)16/h1-4,18H
InChIKeyLMCLDSJOSQPOHB-UHFFFAOYSA-N
XLogP2.60
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The IUPAC name of 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one (CID 66021883) is 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one is O=c1cc(C(F)(F)F)[nH]n1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The InChIKey is LMCLDSJOSQPOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N3O/c11-9(12,13)5-1-2-7(17-4-5)19-8(20)3-6(18-19)10(14,15)16/h1-4,18H.
What are the key properties of 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one has a molecular weight of 297.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one is sourced from PubChem (CID 66021883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).