N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide

C13H23N3O3 — CID 121368083

IUPACN-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOCCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1C
InChIInChI=1S/C13H23N3O3/c1-9-10(8-14-12(18)13(2,3)4)11(17)15-16(9)6-7-19-5/h6-8H2,1-5H3,(H,14,18)(H,15,17)
InChIKeyRJVVSSHGAAIZIW-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.79
Rot. Bonds5

About N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide

N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 121368083) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID121368083
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOCCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1C
InChIInChI=1S/C13H23N3O3/c1-9-10(8-14-12(18)13(2,3)4)11(17)15-16(9)6-7-19-5/h6-8H2,1-5H3,(H,14,18)(H,15,17)
InChIKeyRJVVSSHGAAIZIW-UHFFFAOYSA-N
XLogP0.79
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide (CID 121368083) is N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide is COCCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1C.
What is the InChIKey of N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is RJVVSSHGAAIZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-10(8-14-12(18)13(2,3)4)11(17)15-16(9)6-7-19-5/h6-8H2,1-5H3,(H,14,18)(H,15,17).
What are the key properties of N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 269.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121368083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).