2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide

C16H21N3O2 — CID 99835548

IUPAC2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide
SMILESCCOCC(=O)Nc1cnn(-c2cccc(C)c2)c1CC
InChIInChI=1S/C16H21N3O2/c1-4-15-14(18-16(20)11-21-5-2)10-17-19(15)13-8-6-7-12(3)9-13/h6-10H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyQNNBTRWFXKOGFW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds6

About 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide

2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide (PubChem CID 99835548) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide
PubChem CID99835548
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide
SMILESCCOCC(=O)Nc1cnn(-c2cccc(C)c2)c1CC
InChIInChI=1S/C16H21N3O2/c1-4-15-14(18-16(20)11-21-5-2)10-17-19(15)13-8-6-7-12(3)9-13/h6-10H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyQNNBTRWFXKOGFW-UHFFFAOYSA-N
XLogP2.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide (CID 99835548) is 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide is CCOCC(=O)Nc1cnn(-c2cccc(C)c2)c1CC.
What is the InChIKey of 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is QNNBTRWFXKOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-15-14(18-16(20)11-21-5-2)10-17-19(15)13-8-6-7-12(3)9-13/h6-10H,4-5,11H2,1-3H3,(H,18,20).
What are the key properties of 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide?
2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 99835548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).