2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C23H28N4O2 — CID 8695024

IUPAC2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N4O2/c1-5-29-21-12-8-19(9-13-21)15-26(4)16-23(28)24-22-14-18(3)25-27(22)20-10-6-17(2)7-11-20/h6-14H,5,15-16H2,1-4H3,(H,24,28)
InChIKeyOIMFERZMMQAVBL-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.96
Rot. Bonds8

About 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 8695024) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID8695024
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N4O2/c1-5-29-21-12-8-19(9-13-21)15-26(4)16-23(28)24-22-14-18(3)25-27(22)20-10-6-17(2)7-11-20/h6-14H,5,15-16H2,1-4H3,(H,24,28)
InChIKeyOIMFERZMMQAVBL-UHFFFAOYSA-N
XLogP3.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46556044
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9406717
N-(2-ethylphenyl)-2-[methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]acetamide
CID 8789331
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 41285441
4-[[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 55445494
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664958
2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8695068
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 36799477
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[[2-(4-chlorophenoxy)acetyl]-methylamino]acetamide
CID 42734729

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 8695024) is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is CCOc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is OIMFERZMMQAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-29-21-12-8-19(9-13-21)15-26(4)16-23(28)24-22-14-18(3)25-27(22)20-10-6-17(2)7-11-20/h6-14H,5,15-16H2,1-4H3,(H,24,28).
What are the key properties of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 8695024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).