2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide

C12H21N3O2 — CID 116804587

IUPAC2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cnn(CC)c1
InChIInChI=1S/C12H21N3O2/c1-4-10(5-2)14-12(16)9-17-11-7-13-15(6-3)8-11/h7-8,10H,4-6,9H2,1-3H3,(H,14,16)
InChIKeyXENIWBHQMQYOBJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds7

About 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide

2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide (PubChem CID 116804587) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide
PubChem CID116804587
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cnn(CC)c1
InChIInChI=1S/C12H21N3O2/c1-4-10(5-2)14-12(16)9-17-11-7-13-15(6-3)8-11/h7-8,10H,4-6,9H2,1-3H3,(H,14,16)
InChIKeyXENIWBHQMQYOBJ-UHFFFAOYSA-N
XLogP1.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-N-propylacetamide
CID 116804713
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide
CID 91636359
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
1-ethyl-4-hexoxypyrazole
CID 116804751

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide (CID 116804587) is 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cnn(CC)c1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide?
The InChIKey is XENIWBHQMQYOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10(5-2)14-12(16)9-17-11-7-13-15(6-3)8-11/h7-8,10H,4-6,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide?
2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide is sourced from PubChem (CID 116804587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).