2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide

C23H25N3O3 — CID 26029314

IUPAC2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H25N3O3/c1-16-22(17(2)26(24-16)20-8-6-5-7-9-20)14-25(4)23(28)15-29-21-12-10-19(11-13-21)18(3)27/h5-13H,14-15H2,1-4H3
InChIKeyCYMQQWJUPGYGOW-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.73
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide

2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 26029314) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID26029314
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H25N3O3/c1-16-22(17(2)26(24-16)20-8-6-5-7-9-20)14-25(4)23(28)15-29-21-12-10-19(11-13-21)18(3)27/h5-13H,14-15H2,1-4H3
InChIKeyCYMQQWJUPGYGOW-UHFFFAOYSA-N
XLogP3.73
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 9140506
2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 154835046
2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide
CID 8531793
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 51331839
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436790
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
CID 47023769
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide (CID 26029314) is 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide is CC(=O)c1ccc(OCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is CYMQQWJUPGYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-22(17(2)26(24-16)20-8-6-5-7-9-20)14-25(4)23(28)15-29-21-12-10-19(11-13-21)18(3)27/h5-13H,14-15H2,1-4H3.
What are the key properties of 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 391.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 26029314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).