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

C10H8F3N3O — CID 66020846

IUPAC5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(C(F)(F)F)cn2)[nH]1
InChIInChI=1S/C10H8F3N3O/c1-6-4-9(17)16(15-6)8-3-2-7(5-14-8)10(11,12)13/h2-5,15H,1H3
InChIKeyIRBHKWSMJIQTEK-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.89
Rot. Bonds1

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

5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one (PubChem CID 66020846) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
PubChem CID66020846
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(C(F)(F)F)cn2)[nH]1
InChIInChI=1S/C10H8F3N3O/c1-6-4-9(17)16(15-6)8-3-2-7(5-14-8)10(11,12)13/h2-5,15H,1H3
InChIKeyIRBHKWSMJIQTEK-UHFFFAOYSA-N
XLogP1.89
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one (CID 66020846) is 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one is Cc1cc(=O)n(-c2ccc(C(F)(F)F)cn2)[nH]1.
What is the InChIKey of 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
The InChIKey is IRBHKWSMJIQTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-6-4-9(17)16(15-6)8-3-2-7(5-14-8)10(11,12)13/h2-5,15H,1H3.
What are the key properties of 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one?
5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one has a molecular weight of 243.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one is sourced from PubChem (CID 66020846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).