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

C10H17N3O3 — CID 121371033

IUPACN-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide
SMILESCOCCn1[nH]c(C)c(CNC(C)=O)c1=O
InChIInChI=1S/C10H17N3O3/c1-7-9(6-11-8(2)14)10(15)13(12-7)4-5-16-3/h12H,4-6H2,1-3H3,(H,11,14)
InChIKeyIKNPZIHDYYSLLK-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.23
Rot. Bonds5

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

N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 121371033) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID121371033
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide
SMILESCOCCn1[nH]c(C)c(CNC(C)=O)c1=O
InChIInChI=1S/C10H17N3O3/c1-7-9(6-11-8(2)14)10(15)13(12-7)4-5-16-3/h12H,4-6H2,1-3H3,(H,11,14)
InChIKeyIKNPZIHDYYSLLK-UHFFFAOYSA-N
XLogP-0.23
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.23
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)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide (CID 121371033) is N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide is COCCn1[nH]c(C)c(CNC(C)=O)c1=O.
What is the InChIKey of N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is IKNPZIHDYYSLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-9(6-11-8(2)14)10(15)13(12-7)4-5-16-3/h12H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide?
N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 227.26 g/mol, XLogP of -0.23, 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)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 121371033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).