2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

C15H16F3N3O4 — CID 7285638

IUPAC2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCC1=NN(C(=O)C(=O)Nc2ccc(OC)cc2)[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C15H16F3N3O4/c1-3-9-8-14(24,15(16,17)18)21(20-9)13(23)12(22)19-10-4-6-11(25-2)7-5-10/h4-7,24H,3,8H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyWPNBEFVLUHAOOQ-CQSZACIVSA-N
MW359.30 g/mol
LogP1.88
Rot. Bonds3

About 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 7285638) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID7285638
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCCC1=NN(C(=O)C(=O)Nc2ccc(OC)cc2)[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C15H16F3N3O4/c1-3-9-8-14(24,15(16,17)18)21(20-9)13(23)12(22)19-10-4-6-11(25-2)7-5-10/h4-7,24H,3,8H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyWPNBEFVLUHAOOQ-CQSZACIVSA-N
XLogP1.88
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 829909
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2869410
3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
CID 59014419
methyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 3152031
2-(3,4-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 631282
4-[2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoethoxy]benzonitrile
CID 1093091
4-[2-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoethoxy]benzonitrile
CID 1093090
[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 1050806
cyclopropyl-[(5R)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 817259
[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 3838990
2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 3147030
(2R)-1-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-hydroxy-2-phenylethanone
CID 972941

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (CID 7285638) is 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is CCC1=NN(C(=O)C(=O)Nc2ccc(OC)cc2)[C@](O)(C(F)(F)F)C1.
What is the InChIKey of 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is WPNBEFVLUHAOOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c1-3-9-8-14(24,15(16,17)18)21(20-9)13(23)12(22)19-10-4-6-11(25-2)7-5-10/h4-7,24H,3,8H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 359.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 7285638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).