2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide

C13H15N3O2 — CID 43430758

IUPAC2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide
SMILESCCc1cccc(OCC(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C13H15N3O2/c1-2-10-4-3-5-12(6-10)18-9-13(17)16-11-7-14-15-8-11/h3-8H,2,9H2,1H3,(H,14,15)(H,16,17)
InChIKeyDGSBIFQGGIFICY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds5

About 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide

2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43430758) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43430758
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide
SMILESCCc1cccc(OCC(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C13H15N3O2/c1-2-10-4-3-5-12(6-10)18-9-13(17)16-11-7-14-15-8-11/h3-8H,2,9H2,1H3,(H,14,15)(H,16,17)
InChIKeyDGSBIFQGGIFICY-UHFFFAOYSA-N
XLogP1.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
CID 43539721
N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
CID 28867409
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-amino-N-[3-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192502

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide (CID 43430758) is 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide is CCc1cccc(OCC(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is DGSBIFQGGIFICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-10-4-3-5-12(6-10)18-9-13(17)16-11-7-14-15-8-11/h3-8H,2,9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide?
2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43430758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).