1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone

C10H11F3N2O2 — CID 134398723

IUPAC1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone
SMILESCC(=O)n1ccc(OCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H11F3N2O2/c1-7(16)15-5-2-8(14-15)17-6-9(3-4-9)10(11,12)13/h2,5H,3-4,6H2,1H3
InChIKeyHVLNUWDQZUYHHR-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.26
Rot. Bonds3

About 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone

1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone (PubChem CID 134398723) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone
PubChem CID134398723
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone
SMILESCC(=O)n1ccc(OCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H11F3N2O2/c1-7(16)15-5-2-8(14-15)17-6-9(3-4-9)10(11,12)13/h2,5H,3-4,6H2,1H3
InChIKeyHVLNUWDQZUYHHR-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone 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-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone (CID 134398723) is 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone is CC(=O)n1ccc(OCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone?
The InChIKey is HVLNUWDQZUYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-7(16)15-5-2-8(14-15)17-6-9(3-4-9)10(11,12)13/h2,5H,3-4,6H2,1H3.
What are the key properties of 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone?
1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone has a molecular weight of 248.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]ethanone is sourced from PubChem (CID 134398723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).