(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

C15H16F3N3O2 — CID 95284436

IUPAC(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C15H16F3N3O2/c1-9-8-13(21(3)20-9)19-14(22)10(2)23-12-7-5-4-6-11(12)15(16,17)18/h4-8,10H,1-3H3,(H,19,22)/t10-/m0/s1
InChIKeyWBNWKZTWXLLCKC-JTQLQIEISA-N
MW327.31 g/mol
LogP3.15
Rot. Bonds4

About (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95284436) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95284436
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C15H16F3N3O2/c1-9-8-13(21(3)20-9)19-14(22)10(2)23-12-7-5-4-6-11(12)15(16,17)18/h4-8,10H,1-3H3,(H,19,22)/t10-/m0/s1
InChIKeyWBNWKZTWXLLCKC-JTQLQIEISA-N
XLogP3.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide 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

(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120643455
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 97248963
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 100830106
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95284436) is (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)n(C)n1.
What is the InChIKey of (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is WBNWKZTWXLLCKC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9-8-13(21(3)20-9)19-14(22)10(2)23-12-7-5-4-6-11(12)15(16,17)18/h4-8,10H,1-3H3,(H,19,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 327.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95284436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).