N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide

C19H18FN3O2 — CID 111536844

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C(O)c3ccccc3)cc2F)n1
InChIInChI=1S/C19H18FN3O2/c1-12-10-13(2)23(22-12)17-9-8-15(11-16(17)20)21-19(25)18(24)14-6-4-3-5-7-14/h3-11,18,24H,1-2H3,(H,21,25)
InChIKeyZBRLQWHRQMWDJF-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111536844) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
PubChem CID111536844
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C(O)c3ccccc3)cc2F)n1
InChIInChI=1S/C19H18FN3O2/c1-12-10-13(2)23(22-12)17-9-8-15(11-16(17)20)21-19(25)18(24)14-6-4-3-5-7-14/h3-11,18,24H,1-2H3,(H,21,25)
InChIKeyZBRLQWHRQMWDJF-UHFFFAOYSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide (CID 111536844) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide is Cc1cc(C)n(-c2ccc(NC(=O)C(O)c3ccccc3)cc2F)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is ZBRLQWHRQMWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-10-13(2)23(22-12)17-9-8-15(11-16(17)20)21-19(25)18(24)14-6-4-3-5-7-14/h3-11,18,24H,1-2H3,(H,21,25).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 339.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111536844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).