2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

C19H20N4O2 — CID 90588299

IUPAC2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCn2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H20N4O2/c1-15-5-4-6-16(13-15)25-14-19(24)21-10-12-23-11-8-18(22-23)17-7-2-3-9-20-17/h2-9,11,13H,10,12,14H2,1H3,(H,21,24)
InChIKeyXTANDJZQZWAZQE-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.45
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 90588299) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID90588299
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCn2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H20N4O2/c1-15-5-4-6-16(13-15)25-14-19(24)21-10-12-23-11-8-18(22-23)17-7-2-3-9-20-17/h2-9,11,13H,10,12,14H2,1H3,(H,21,24)
InChIKeyXTANDJZQZWAZQE-UHFFFAOYSA-N
XLogP2.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 90588269
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
4-phenoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588364
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
(E)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90588381
2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288837
4-methyl-3-nitro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588318
2-ethoxy-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 119102670

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (CID 90588299) is 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is Cc1cccc(OCC(=O)NCCn2ccc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is XTANDJZQZWAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15-5-4-6-16(13-15)25-14-19(24)21-10-12-23-11-8-18(22-23)17-7-2-3-9-20-17/h2-9,11,13H,10,12,14H2,1H3,(H,21,24).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90588299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).