3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide

C24H28N4O2 — CID 55363766

IUPAC3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17-22(18(2)28(26-17)21-13-9-6-10-14-21)16-27(4)24(30)15-23(25-19(3)29)20-11-7-5-8-12-20/h5-14,23H,15-16H2,1-4H3,(H,25,29)
InChIKeyDNXCOAXHUDRDNR-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.72
Rot. Bonds7

About 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide

3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 55363766) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID55363766
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17-22(18(2)28(26-17)21-13-9-6-10-14-21)16-27(4)24(30)15-23(25-19(3)29)20-11-7-5-8-12-20/h5-14,23H,15-16H2,1-4H3,(H,25,29)
InChIKeyDNXCOAXHUDRDNR-UHFFFAOYSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-(5-methylhexan-2-yl)urea
CID 78833744
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 78889726
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 27533724
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 75381923
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
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide (CID 55363766) is 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide is CC(=O)NC(CC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is DNXCOAXHUDRDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-22(18(2)28(26-17)21-13-9-6-10-14-21)16-27(4)24(30)15-23(25-19(3)29)20-11-7-5-8-12-20/h5-14,23H,15-16H2,1-4H3,(H,25,29).
What are the key properties of 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide?
3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 404.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 55363766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).