2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

C13H15N3O3 — CID 112536479

IUPAC2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2cc(=O)[nH][nH]2)c1
InChIInChI=1S/C13H15N3O3/c1-19-11-4-2-3-9(5-11)6-12(17)14-8-10-7-13(18)16-15-10/h2-5,7H,6,8H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyQIRYEPDHCIFKMR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.57
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (PubChem CID 112536479) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
PubChem CID112536479
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2cc(=O)[nH][nH]2)c1
InChIInChI=1S/C13H15N3O3/c1-19-11-4-2-3-9(5-11)6-12(17)14-8-10-7-13(18)16-15-10/h2-5,7H,6,8H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyQIRYEPDHCIFKMR-UHFFFAOYSA-N
XLogP0.57
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-hydroxy-4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]benzamide
CID 90480233
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522336
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33117583
2-(3-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728108
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131935325
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (CID 112536479) is 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is COc1cccc(CC(=O)NCc2cc(=O)[nH][nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The InChIKey is QIRYEPDHCIFKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-11-4-2-3-9(5-11)6-12(17)14-8-10-7-13(18)16-15-10/h2-5,7H,6,8H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 112536479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).