N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H16FN3O2 — CID 86787155

IUPACN-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C14H16FN3O2/c1-8-11(9(2)18(3)17-8)7-14(20)16-13-5-4-10(19)6-12(13)15/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyGUBVUSGRLACOKM-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.06
Rot. Bonds3

About N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86787155) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86787155
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C14H16FN3O2/c1-8-11(9(2)18(3)17-8)7-14(20)16-13-5-4-10(19)6-12(13)15/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyGUBVUSGRLACOKM-UHFFFAOYSA-N
XLogP2.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86787155) is N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1ccc(O)cc1F.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GUBVUSGRLACOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-11(9(2)18(3)17-8)7-14(20)16-13-5-4-10(19)6-12(13)15/h4-6,19H,7H2,1-3H3,(H,16,20).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86787155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).