N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide

C18H16FN3O2 — CID 46168278

IUPACN-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)COc1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12-17(18(22-21-12)13-7-9-14(19)10-8-13)20-16(23)11-24-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLFOZCAYXHKEFNY-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.54
Rot. Bonds5

About N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide

N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide (PubChem CID 46168278) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide
PubChem CID46168278
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)COc1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12-17(18(22-21-12)13-7-9-14(19)10-8-13)20-16(23)11-24-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLFOZCAYXHKEFNY-UHFFFAOYSA-N
XLogP3.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide (CID 46168278) is N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide is Cc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)COc1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide?
The InChIKey is LFOZCAYXHKEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-17(18(22-21-12)13-7-9-14(19)10-8-13)20-16(23)11-24-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide?
N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide has a molecular weight of 325.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 46168278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).