2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

C18H18N4O2 — CID 173044745

IUPAC2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1[nH]ncc1-c1cccc(OCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H18N4O2/c1-13-17(11-21-22-13)14-5-4-7-16(9-14)24-12-18(23)20-10-15-6-2-3-8-19-15/h2-9,11H,10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyFEMFZVURDNGPCB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.48
Rot. Bonds6

About 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 173044745) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID173044745
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1[nH]ncc1-c1cccc(OCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H18N4O2/c1-13-17(11-21-22-13)14-5-4-7-16(9-14)24-12-18(23)20-10-15-6-2-3-8-19-15/h2-9,11H,10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyFEMFZVURDNGPCB-UHFFFAOYSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 173044703
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide
CID 173044787
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
2-(4-chloro-2,6-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 9414673
N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide
CID 173044845
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (CID 173044745) is 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is Cc1[nH]ncc1-c1cccc(OCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FEMFZVURDNGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-17(11-21-22-13)14-5-4-7-16(9-14)24-12-18(23)20-10-15-6-2-3-8-19-15/h2-9,11H,10,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 173044745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).