2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C16H20N4O2 — CID 31847350

IUPAC2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H20N4O2/c1-12(21)18-15-6-4-13(5-7-15)8-16(22)19(2)10-14-9-17-20(3)11-14/h4-7,9,11H,8,10H2,1-3H3,(H,18,21)
InChIKeyACZKNSRLUGATGB-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 31847350) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID31847350
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H20N4O2/c1-12(21)18-15-6-4-13(5-7-15)8-16(22)19(2)10-14-9-17-20(3)11-14/h4-7,9,11H,8,10H2,1-3H3,(H,18,21)
InChIKeyACZKNSRLUGATGB-UHFFFAOYSA-N
XLogP1.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 31847350) is 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CC(=O)Nc1ccc(CC(=O)N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is ACZKNSRLUGATGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(21)18-15-6-4-13(5-7-15)8-16(22)19(2)10-14-9-17-20(3)11-14/h4-7,9,11H,8,10H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 31847350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).