2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide

C13H15N3O2 — CID 61393587

IUPAC2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H15N3O2/c1-9-4-3-5-10(2)13(9)18-8-12(17)15-11-6-7-14-16-11/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHNFBVSKNLUERKD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61393587) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61393587
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H15N3O2/c1-9-4-3-5-10(2)13(9)18-8-12(17)15-11-6-7-14-16-11/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHNFBVSKNLUERKD-UHFFFAOYSA-N
XLogP2.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61394030
2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 176998033
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
CID 61393398
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
2-(2,6-dimethylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716567
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
2-(2,6-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 29249229

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide (CID 61393587) is 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is HNFBVSKNLUERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-3-5-10(2)13(9)18-8-12(17)15-11-6-7-14-16-11/h3-7H,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 61393587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).