2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide

C19H19N3O2 — CID 110732601

IUPAC2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3ccccc3C)cc2)n[nH]1
InChIInChI=1S/C19H19N3O2/c1-13-5-3-4-6-18(13)24-12-19(23)20-16-9-7-15(8-10-16)17-11-14(2)21-22-17/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIMIKXBDCPDOOGL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.71
Rot. Bonds5

About 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide

2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide (PubChem CID 110732601) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
PubChem CID110732601
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3ccccc3C)cc2)n[nH]1
InChIInChI=1S/C19H19N3O2/c1-13-5-3-4-6-18(13)24-12-19(23)20-16-9-7-15(8-10-16)17-11-14(2)21-22-17/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIMIKXBDCPDOOGL-UHFFFAOYSA-N
XLogP3.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
CID 110732585
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
N-[4-(1H-imidazol-5-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 110668475
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 95755104
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-[4-(2-methoxyethoxy)phenyl]-2-(2-methylphenoxy)acetamide
CID 17340393
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
2-chloro-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 35767797

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide (CID 110732601) is 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide is Cc1cc(-c2ccc(NC(=O)COc3ccccc3C)cc2)n[nH]1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide?
The InChIKey is IMIKXBDCPDOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-5-3-4-6-18(13)24-12-19(23)20-16-9-7-15(8-10-16)17-11-14(2)21-22-17/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide?
2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 110732601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).