N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide

C10H17N3O2S — CID 43546877

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O2S/c1-7-10(8(2)13-12-7)11-9(14)6-16-5-4-15-3/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyNIISCXITGBVFEJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.34
Rot. Bonds6

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 43546877) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID43546877
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O2S/c1-7-10(8(2)13-12-7)11-9(14)6-16-5-4-15-3/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyNIISCXITGBVFEJ-UHFFFAOYSA-N
XLogP1.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide (CID 43546877) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is NIISCXITGBVFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-10(8(2)13-12-7)11-9(14)6-16-5-4-15-3/h4-6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 243.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 43546877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).