1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one

C8H9F3N2O — CID 157299865

IUPAC1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
SMILESCC(=O)Cc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C8H9F3N2O/c1-5(14)3-6-4-7(8(9,10)11)13(2)12-6/h4H,3H2,1-2H3
InChIKeyBBTSFZYPLUYPEG-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.57
Rot. Bonds2

About 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one

1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one (PubChem CID 157299865) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
PubChem CID157299865
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
SMILESCC(=O)Cc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C8H9F3N2O/c1-5(14)3-6-4-7(8(9,10)11)13(2)12-6/h4H,3H2,1-2H3
InChIKeyBBTSFZYPLUYPEG-UHFFFAOYSA-N
XLogP1.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-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 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
The IUPAC name of 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one (CID 157299865) is 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
The canonical SMILES for 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one is CC(=O)Cc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
The InChIKey is BBTSFZYPLUYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5(14)3-6-4-7(8(9,10)11)13(2)12-6/h4H,3H2,1-2H3.
What are the key properties of 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one is sourced from PubChem (CID 157299865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).