2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H17N3O3 — CID 78767751

IUPAC2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H17N3O3/c1-9-15(10(2)18-17-9)16-14(20)8-21-13-6-4-12(5-7-13)11(3)19/h4-7H,8H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyJVLHCBROIGSSEA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 78767751) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID78767751
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H17N3O3/c1-9-15(10(2)18-17-9)16-14(20)8-21-13-6-4-12(5-7-13)11(3)19/h4-7H,8H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyJVLHCBROIGSSEA-UHFFFAOYSA-N
XLogP2.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55124971
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 43397481
2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397496
4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399152
4-[[2-(4-iodophenoxy)acetyl]amino]-5-methyl-1H-pyrazole-3-carboxamide
CID 56571459
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397452
2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2384611
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
2-(4-acetylphenoxy)-N-(2-iodophenyl)acetamide
CID 2621387
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 78767751) is 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is CC(=O)c1ccc(OCC(=O)Nc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is JVLHCBROIGSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-15(10(2)18-17-9)16-14(20)8-21-13-6-4-12(5-7-13)11(3)19/h4-7H,8H2,1-3H3,(H,16,20)(H,17,18).
What are the key properties of 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 78767751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).