2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C21H26N6O — CID 2334502

IUPAC2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1ccccc1
InChIInChI=1S/C21H26N6O/c1-5-26(13-18-9-7-6-8-10-18)14-20(28)24-19-12-17(4)25-27(19)21-22-15(2)11-16(3)23-21/h6-12H,5,13-14H2,1-4H3,(H,24,28)
InChIKeyWARDEZUQTYBQRX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.05
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 2334502) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID2334502
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1ccccc1
InChIInChI=1S/C21H26N6O/c1-5-26(13-18-9-7-6-8-10-18)14-20(28)24-19-12-17(4)25-27(19)21-22-15(2)11-16(3)23-21/h6-12H,5,13-14H2,1-4H3,(H,24,28)
InChIKeyWARDEZUQTYBQRX-UHFFFAOYSA-N
XLogP3.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 2334502) is 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is CCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is WARDEZUQTYBQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-5-26(13-18-9-7-6-8-10-18)14-20(28)24-19-12-17(4)25-27(19)21-22-15(2)11-16(3)23-21/h6-12H,5,13-14H2,1-4H3,(H,24,28).
What are the key properties of 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 2334502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).