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

C11H15F3N2O2 — CID 137413442

IUPAC2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1cc(OCCC(F)(F)F)n(C)n1
InChIInChI=1S/C11H15F3N2O2/c1-7(2)10(17)8-6-9(16(3)15-8)18-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyGGPJCLJNZBMTAE-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.59
Rot. Bonds5

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

2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one (PubChem CID 137413442) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one
PubChem CID137413442
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1cc(OCCC(F)(F)F)n(C)n1
InChIInChI=1S/C11H15F3N2O2/c1-7(2)10(17)8-6-9(16(3)15-8)18-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyGGPJCLJNZBMTAE-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)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

Related Compounds

CID 118673387
CID 118673387
CID 118674915
CID 118674915
CID 134286637
CID 134286637
CID 137413355
CID 137413355
CID 137413487
CID 137413487
CID 137413488
CID 137413488
CID 146284525
CID 146284525
CID 146559436
CID 146559436
CID 166655079
CID 166655079
CID 166655163
CID 166655163
CID 166773564
CID 166773564
CID 166773576
CID 166773576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one (CID 137413442) is 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one is CC(C)C(=O)c1cc(OCCC(F)(F)F)n(C)n1.
What is the InChIKey of 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one?
The InChIKey is GGPJCLJNZBMTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-7(2)10(17)8-6-9(16(3)15-8)18-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one?
2-methyl-1-[1-methyl-5-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one has a molecular weight of 264.25 g/mol, XLogP of 2.59, 5 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-(3,3,3-trifluoropropoxy)pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 137413442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).