N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C20H20N4O2 — CID 86857797

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-15(25)23(2)18-10-6-17(7-11-18)22-20(26)14-16-4-8-19(9-5-16)24-13-3-12-21-24/h3-13H,14H2,1-2H3,(H,22,26)
InChIKeyBOYLPZVVUHFAAT-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.04
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 86857797) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID86857797
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-15(25)23(2)18-10-6-17(7-11-18)22-20(26)14-16-4-8-19(9-5-16)24-13-3-12-21-24/h3-13H,14H2,1-2H3,(H,22,26)
InChIKeyBOYLPZVVUHFAAT-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
N-(3-acetamido-4-chlorophenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86845072
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 78876546
(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate
CID 165368602
N-(9H-fluoren-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472205
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 60570752
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46473158

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 86857797) is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is CC(=O)N(C)c1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is BOYLPZVVUHFAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15(25)23(2)18-10-6-17(7-11-18)22-20(26)14-16-4-8-19(9-5-16)24-13-3-12-21-24/h3-13H,14H2,1-2H3,(H,22,26).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 86857797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).