[3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate

C13H11F3N2O2 — CID 75455906

IUPAC[3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate
SMILESO=C(Cc1ccn[nH]1)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-3-1-2-9(6-10)8-20-12(19)7-11-4-5-17-18-11/h1-6H,7-8H2,(H,17,18)
InChIKeyMVAUQAXXZHJUAA-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.71
Rot. Bonds4

About [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate

[3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate (PubChem CID 75455906) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate
PubChem CID75455906
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name[3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate
SMILESO=C(Cc1ccn[nH]1)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-3-1-2-9(6-10)8-20-12(19)7-11-4-5-17-18-11/h1-6H,7-8H2,(H,17,18)
InChIKeyMVAUQAXXZHJUAA-UHFFFAOYSA-N
XLogP2.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate 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

[3-(trifluoromethyl)phenyl]methyl 3-aminobenzoate
CID 60665378
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
[3-(trifluoromethyl)phenyl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 3545378
[3-(trifluoromethyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 18202610
[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368745
[3-(trifluoromethyl)phenyl]methyl 3-aminothiophene-2-carboxylate
CID 61315831
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013675
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
[3-(trifluoromethyl)phenyl]methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55367725
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013797
[3-(trifluoromethyl)phenyl]methyl 3-(1-methylidene-2-oxo-5H-1,3-thiazol-4-yl)propanoate
CID 91010149

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate (CID 75455906) is [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate is O=C(Cc1ccn[nH]1)OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate?
The InChIKey is MVAUQAXXZHJUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)10-3-1-2-9(6-10)8-20-12(19)7-11-4-5-17-18-11/h1-6H,7-8H2,(H,17,18).
What are the key properties of [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate?
[3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate has a molecular weight of 284.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl 2-(1H-pyrazol-5-yl)acetate is sourced from PubChem (CID 75455906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).