N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide

C15H17N3O3 — CID 661935

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide
SMILESCc1cc(C)n(C(=O)CNC(=O)COc2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-11-8-12(2)18(17-11)15(20)9-16-14(19)10-21-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyXIADSJKYKPABCY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.34
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide (PubChem CID 661935) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide
PubChem CID661935
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide
SMILESCc1cc(C)n(C(=O)CNC(=O)COc2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-11-8-12(2)18(17-11)15(20)9-16-14(19)10-21-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyXIADSJKYKPABCY-UHFFFAOYSA-N
XLogP1.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide (CID 661935) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide is Cc1cc(C)n(C(=O)CNC(=O)COc2ccccc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
The InChIKey is XIADSJKYKPABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-8-12(2)18(17-11)15(20)9-16-14(19)10-21-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide has a molecular weight of 287.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-phenoxyacetamide is sourced from PubChem (CID 661935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).