N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide

C15H19N3OS — CID 48507728

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCCc1cc(NC(=O)CSCCc2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3OS/c1-2-13-10-14(18-17-13)16-15(19)11-20-9-8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H2,16,17,18,19)
InChIKeyMJXZBUJNRKOOEB-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.89
Rot. Bonds7

About N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 48507728) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
PubChem CID48507728
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCCc1cc(NC(=O)CSCCc2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3OS/c1-2-13-10-14(18-17-13)16-15(19)11-20-9-8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H2,16,17,18,19)
InChIKeyMJXZBUJNRKOOEB-UHFFFAOYSA-N
XLogP2.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide (CID 48507728) is N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide is CCc1cc(NC(=O)CSCCc2ccccc2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is MJXZBUJNRKOOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-13-10-14(18-17-13)16-15(19)11-20-9-8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 48507728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).