N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide

C19H19N3O3 — CID 46107079

IUPACN-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-n2nc(NC(=O)COc3ccccc3)cc2C)cc1
InChIInChI=1S/C19H19N3O3/c1-14-12-18(20-19(23)13-25-17-6-4-3-5-7-17)21-22(14)15-8-10-16(24-2)11-9-15/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyGQHFVLIKJOWZQD-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.21
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide

N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 46107079) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide
PubChem CID46107079
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-n2nc(NC(=O)COc3ccccc3)cc2C)cc1
InChIInChI=1S/C19H19N3O3/c1-14-12-18(20-19(23)13-25-17-6-4-3-5-7-17)21-22(14)15-8-10-16(24-2)11-9-15/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyGQHFVLIKJOWZQD-UHFFFAOYSA-N
XLogP3.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide (CID 46107079) is N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide is COc1ccc(-n2nc(NC(=O)COc3ccccc3)cc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is GQHFVLIKJOWZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14-12-18(20-19(23)13-25-17-6-4-3-5-7-17)21-22(14)15-8-10-16(24-2)11-9-15/h3-12H,13H2,1-2H3,(H,20,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 337.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 46107079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).