2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C20H21N3O — CID 134000703

IUPAC2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N3O/c1-16-7-5-6-8-18(16)13-20(24)21-12-11-17-14-22-23(15-17)19-9-3-2-4-10-19/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyNYVVPCTUURDEBA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.08
Rot. Bonds6

About 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 134000703) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID134000703
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N3O/c1-16-7-5-6-8-18(16)13-20(24)21-12-11-17-14-22-23(15-17)19-9-3-2-4-10-19/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyNYVVPCTUURDEBA-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55505000
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16615026
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55518875
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 134000703) is 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is Cc1ccccc1CC(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is NYVVPCTUURDEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-16-7-5-6-8-18(16)13-20(24)21-12-11-17-14-22-23(15-17)19-9-3-2-4-10-19/h2-10,14-15H,11-13H2,1H3,(H,21,24).
What are the key properties of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 134000703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).