N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H12F3N3O2 — CID 19519049

IUPACN-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccccc1O
InChIInChI=1S/C13H12F3N3O2/c1-8-6-11(13(14,15)16)18-19(8)7-12(21)17-9-4-2-3-5-10(9)20/h2-6,20H,7H2,1H3,(H,17,21)
InChIKeyJHZOFGFYMRNGSP-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.55
Rot. Bonds3

About N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19519049) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19519049
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccccc1O
InChIInChI=1S/C13H12F3N3O2/c1-8-6-11(13(14,15)16)18-19(8)7-12(21)17-9-4-2-3-5-10(9)20/h2-6,20H,7H2,1H3,(H,17,21)
InChIKeyJHZOFGFYMRNGSP-UHFFFAOYSA-N
XLogP2.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19519049) is N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JHZOFGFYMRNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-6-11(13(14,15)16)18-19(8)7-12(21)17-9-4-2-3-5-10(9)20/h2-6,20H,7H2,1H3,(H,17,21).
What are the key properties of N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 299.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19519049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).