N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide

C21H23N3O — CID 86997630

IUPACN-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H23N3O/c1-3-17-7-5-8-18(4-2)21(17)23-20(25)15-16-9-11-19(12-10-16)24-14-6-13-22-24/h5-14H,3-4,15H2,1-2H3,(H,23,25)
InChIKeyYVERDVXTLIXZCN-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.18
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide

N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 86997630) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID86997630
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H23N3O/c1-3-17-7-5-8-18(4-2)21(17)23-20(25)15-16-9-11-19(12-10-16)24-14-6-13-22-24/h5-14H,3-4,15H2,1-2H3,(H,23,25)
InChIKeyYVERDVXTLIXZCN-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
2-(4-pyrazol-1-ylphenyl)-N-(thiadiazol-5-yl)acetamide
CID 99833206
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472377
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86857797
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 111461001
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46473158
2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 131962236
N-(3-acetamido-4-chlorophenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86845072
(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 78876546
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide (CID 86997630) is N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is YVERDVXTLIXZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-17-7-5-8-18(4-2)21(17)23-20(25)15-16-9-11-19(12-10-16)24-14-6-13-22-24/h5-14H,3-4,15H2,1-2H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 86997630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).