2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide

C20H21N3O2 — CID 53198509

IUPAC2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2n[nH]c(C)c2-c2ccccc2)c1C
InChIInChI=1S/C20H21N3O2/c1-13-8-7-11-17(14(13)2)25-12-18(24)21-20-19(15(3)22-23-20)16-9-5-4-6-10-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyBZGLEYLFUXZLFC-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.02
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 53198509) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID53198509
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2n[nH]c(C)c2-c2ccccc2)c1C
InChIInChI=1S/C20H21N3O2/c1-13-8-7-11-17(14(13)2)25-12-18(24)21-20-19(15(3)22-23-20)16-9-5-4-6-10-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyBZGLEYLFUXZLFC-UHFFFAOYSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 115594830
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897204
3-amino-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 82034375
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 53197929
2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198503
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 28859679

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide (CID 53198509) is 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide is Cc1cccc(OCC(=O)Nc2n[nH]c(C)c2-c2ccccc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is BZGLEYLFUXZLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-8-7-11-17(14(13)2)25-12-18(24)21-20-19(15(3)22-23-20)16-9-5-4-6-10-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 53198509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).