2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid

C15H16F3N3O4 — CID 167872069

IUPAC2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)C(O)Cc2ccccc2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H15N3O2.C2HF3O2/c1-9-7-12(16-15-9)14-13(18)11(17)8-10-5-3-2-4-6-10;3-2(4,5)1(6)7/h2-7,11,17H,8H2,1H3,(H2,14,15,16,18);(H,6,7)
InChIKeyJXUQAAVJMSJBJC-UHFFFAOYSA-N
MW359.30 g/mol
LogP1.89
Rot. Bonds4

About 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid

2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 167872069) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID167872069
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)C(O)Cc2ccccc2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H15N3O2.C2HF3O2/c1-9-7-12(16-15-9)14-13(18)11(17)8-10-5-3-2-4-6-10;3-2(4,5)1(6)7/h2-7,11,17H,8H2,1H3,(H2,14,15,16,18);(H,6,7)
InChIKeyJXUQAAVJMSJBJC-UHFFFAOYSA-N
XLogP1.89
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 167945977
3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 167770709
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
(2S)-2-hydroxy-3-(1H-imidazol-5-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]propanamide;2,2,2-trifluoroacetic acid
CID 167924262
3-isoquinolin-5-yl-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 167836834
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid (CID 167872069) is 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid is Cc1cc(NC(=O)C(O)Cc2ccccc2)n[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is JXUQAAVJMSJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.C2HF3O2/c1-9-7-12(16-15-9)14-13(18)11(17)8-10-5-3-2-4-6-10;3-2(4,5)1(6)7/h2-7,11,17H,8H2,1H3,(H2,14,15,16,18);(H,6,7).
What are the key properties of 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 359.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167872069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).