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

C11H14F4N2O2 — CID 137413487

IUPAC2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1cc(OCC(F)(F)C(F)F)n(C)n1
InChIInChI=1S/C11H14F4N2O2/c1-6(2)9(18)7-4-8(17(3)16-7)19-5-11(14,15)10(12)13/h4,6,10H,5H2,1-3H3
InChIKeyOXFZQGMQYAYIQV-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.54
Rot. Bonds6

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

2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one (PubChem CID 137413487) has the molecular formula C11H14F4N2O2 and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one
PubChem CID137413487
Molecular FormulaC11H14F4N2O2
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Name2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1cc(OCC(F)(F)C(F)F)n(C)n1
InChIInChI=1S/C11H14F4N2O2/c1-6(2)9(18)7-4-8(17(3)16-7)19-5-11(14,15)10(12)13/h4,6,10H,5H2,1-3H3
InChIKeyOXFZQGMQYAYIQV-UHFFFAOYSA-N
XLogP2.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-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 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one (CID 137413487) is 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one is CC(C)C(=O)c1cc(OCC(F)(F)C(F)F)n(C)n1.
What is the InChIKey of 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one?
The InChIKey is OXFZQGMQYAYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2/c1-6(2)9(18)7-4-8(17(3)16-7)19-5-11(14,15)10(12)13/h4,6,10H,5H2,1-3H3.
What are the key properties of 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one?
2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one has a molecular weight of 282.24 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-methyl-5-(2,2,3,3-tetrafluoropropoxy)pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 137413487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).