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

C16H19N3O3 — CID 658913

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C16H19N3O3/c1-11-5-4-6-14(7-11)22-10-15(20)17-9-16(21)19-13(3)8-12(2)18-19/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyNQRIWBNHHAKODA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.64
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 658913) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
PubChem CID658913
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C16H19N3O3/c1-11-5-4-6-14(7-11)22-10-15(20)17-9-16(21)19-13(3)8-12(2)18-19/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyNQRIWBNHHAKODA-UHFFFAOYSA-N
XLogP1.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.64
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-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide (CID 658913) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCC(=O)n2nc(C)cc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is NQRIWBNHHAKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-5-4-6-14(7-11)22-10-15(20)17-9-16(21)19-13(3)8-12(2)18-19/h4-8H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.64, 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 658913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).