5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid

C15H15F3N2O3 — CID 141027256

IUPAC5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid
SMILESO=C(O)CCCCOc1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)12-10-13(23-9-5-4-8-14(21)22)20(19-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,21,22)
InChIKeyHIXMRTWDJTWWBS-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.52
Rot. Bonds7

About 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid

5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid (PubChem CID 141027256) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid.

Molecular Properties

Compound Name5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid
PubChem CID141027256
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid
SMILESO=C(O)CCCCOc1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)12-10-13(23-9-5-4-8-14(21)22)20(19-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,21,22)
InChIKeyHIXMRTWDJTWWBS-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903
[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl] 2,2-dimethylpropanoate
CID 42728026
5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 22731897
1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 22250323
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetic acid;methyl acetate
CID 159209652
benzyl 6-[[1,1,3-trioxo-2-[[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-6-yl]oxy]hexanoate
CID 67641558
4-[5-(difluoromethoxy)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 18449043
N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide
CID 3043183
4-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]butanoic acid
CID 175308580
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
CID 57470290
1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
CID 162378403
1-[4-(bromomethyl)phenyl]-5-ethoxy-3-(trifluoromethyl)pyrazole
CID 164881010

Frequently Asked Questions

What is the IUPAC name of 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid?
The IUPAC name of 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid (CID 141027256) is 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid.
What is the SMILES notation for 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid?
The canonical SMILES for 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid is O=C(O)CCCCOc1cc(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid?
The InChIKey is HIXMRTWDJTWWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)12-10-13(23-9-5-4-8-14(21)22)20(19-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,21,22).
What are the key properties of 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid?
5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid has a molecular weight of 328.29 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid is sourced from PubChem (CID 141027256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).