(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

C14H14F3N3O2 — CID 95328097

IUPAC(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-9(13(21)18-12-7-8-20(2)19-12)22-11-6-4-3-5-10(11)14(15,16)17/h3-9H,1-2H3,(H,18,19,21)/t9-/m0/s1
InChIKeyARUJKSOHMVIMQF-VIFPVBQESA-N
MW313.28 g/mol
LogP2.84
Rot. Bonds4

About (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95328097) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95328097
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-9(13(21)18-12-7-8-20(2)19-12)22-11-6-4-3-5-10(11)14(15,16)17/h3-9H,1-2H3,(H,18,19,21)/t9-/m0/s1
InChIKeyARUJKSOHMVIMQF-VIFPVBQESA-N
XLogP2.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95284436
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95298813
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120643455
(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
CID 25438347
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)propanamide
CID 110210628
(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 97248963
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
(2R,4R)-2-cyano-N-methyl-3-oxo-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98361877
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95328097) is (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(C)n1.
What is the InChIKey of (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is ARUJKSOHMVIMQF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-9(13(21)18-12-7-8-20(2)19-12)22-11-6-4-3-5-10(11)14(15,16)17/h3-9H,1-2H3,(H,18,19,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 313.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95328097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).