N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide

C23H26N4O2 — CID 9436790

IUPACN-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N4O2/c1-16-22(17(2)27(25-16)21-8-6-5-7-9-21)14-26(4)15-23(29)24-20-12-10-19(11-13-20)18(3)28/h5-13H,14-15H2,1-4H3,(H,24,29)
InChIKeyVVPYZFTZTUAGTF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.76
Rot. Bonds7

About N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide

N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 9436790) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID9436790
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N4O2/c1-16-22(17(2)27(25-16)21-8-6-5-7-9-21)14-26(4)15-23(29)24-20-12-10-19(11-13-20)18(3)28/h5-13H,14-15H2,1-4H3,(H,24,29)
InChIKeyVVPYZFTZTUAGTF-UHFFFAOYSA-N
XLogP3.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436860
N-[4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436848
(2S)-N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 9436816
N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 17413370
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9436864
N-(1-adamantyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436690
ethyl 2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzoate
CID 9436792
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 78826535
2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 26029314
2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 154835046
N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196298
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 39973520

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide (CID 9436790) is N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide is CC(=O)c1ccc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is VVPYZFTZTUAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-22(17(2)27(25-16)21-8-6-5-7-9-21)14-26(4)15-23(29)24-20-12-10-19(11-13-20)18(3)28/h5-13H,14-15H2,1-4H3,(H,24,29).
What are the key properties of N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 9436790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).