2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide

C15H17N3O3 — CID 43647204

IUPAC2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(C)c(C=O)c1C
InChIInChI=1S/C15H17N3O3/c1-10-12(9-19)11(2)18(17-10)8-15(20)16-13-6-4-5-7-14(13)21-3/h4-7,9H,8H2,1-3H3,(H,16,20)
InChIKeyMXFPSUVEHMVDED-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.96
Rot. Bonds5

About 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide

2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 43647204) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID43647204
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(C)c(C=O)c1C
InChIInChI=1S/C15H17N3O3/c1-10-12(9-19)11(2)18(17-10)8-15(20)16-13-6-4-5-7-14(13)21-3/h4-7,9H,8H2,1-3H3,(H,16,20)
InChIKeyMXFPSUVEHMVDED-UHFFFAOYSA-N
XLogP1.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50812901
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 36838601
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8010824
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79562333
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
N-(2-methoxyphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470056
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
CID 126171318
methyl 2-[2-[(4-formyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetate
CID 115463136
1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366120
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide (CID 43647204) is 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1nc(C)c(C=O)c1C.
What is the InChIKey of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is MXFPSUVEHMVDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-12(9-19)11(2)18(17-10)8-15(20)16-13-6-4-5-7-14(13)21-3/h4-7,9H,8H2,1-3H3,(H,16,20).
What are the key properties of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide?
2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 43647204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).