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

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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).