1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one

C13H11F3N2O2 — CID 117230412

IUPAC1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one
SMILESCC(=O)COc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H11F3N2O2/c1-9(19)8-20-12-6-17-18(7-12)11-4-2-10(3-5-11)13(14,15)16/h2-7H,8H2,1H3
InChIKeyBJVMRADNIQVWNL-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.86
Rot. Bonds4

About 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one

1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one (PubChem CID 117230412) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one
PubChem CID117230412
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one
SMILESCC(=O)COc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H11F3N2O2/c1-9(19)8-20-12-6-17-18(7-12)11-4-2-10(3-5-11)13(14,15)16/h2-7H,8H2,1H3
InChIKeyBJVMRADNIQVWNL-UHFFFAOYSA-N
XLogP2.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-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

Related Compounds

2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanol
CID 117230397
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
4-(4-ethoxypyrazol-1-yl)phenol
CID 117229696
3-[methyl-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122087391
N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide
CID 166237463
2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 175751868
1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one
CID 112583755
2-ethyl-2-[[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methylamino]methyl]butanoic acid
CID 122128328
N'-(3-hydroxybutyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide
CID 166231711
ethane;4-ethoxy-1-(4-methylphenyl)pyrazole
CID 145188888
1-(4-nitrophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazole-4-carboxamide
CID 55803139

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one?
The IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one (CID 117230412) is 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one is CC(=O)COc1cnn(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one?
The InChIKey is BJVMRADNIQVWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-9(19)8-20-12-6-17-18(7-12)11-4-2-10(3-5-11)13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one?
1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one has a molecular weight of 284.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxypropan-2-one is sourced from PubChem (CID 117230412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).