2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid

C13H11F3N2O3 — CID 117234296

IUPAC2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(OCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)10-3-1-2-9(4-10)8-21-11-5-17-18(6-11)7-12(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyMSVBIKCVHYYAOO-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid

2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid (PubChem CID 117234296) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid
PubChem CID117234296
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(OCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)10-3-1-2-9(4-10)8-21-11-5-17-18(6-11)7-12(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyMSVBIKCVHYYAOO-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid 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-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
CID 117234298
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
CID 157097991
CID 157097991
3-[(4-tert-butylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346925
3-[(3-chlorophenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346774
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
N-[[3-(phenoxymethyl)phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55903101
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 71150981
2-[(E)-[3,5-bis[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453424
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid (CID 117234296) is 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(OCc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid?
The InChIKey is MSVBIKCVHYYAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)10-3-1-2-9(4-10)8-21-11-5-17-18(6-11)7-12(19)20/h1-6H,7-8H2,(H,19,20).
What are the key properties of 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid?
2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid has a molecular weight of 300.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 117234296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).