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

C16H21N3OS — CID 115621083

IUPAC2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CSCCc2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3OS/c1-2-6-14-11-15(19-18-14)17-16(20)12-21-10-9-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3,(H2,17,18,19,20)
InChIKeyUGQAXLSMERSICQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.28
Rot. Bonds8

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

2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115621083) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
PubChem CID115621083
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CSCCc2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3OS/c1-2-6-14-11-15(19-18-14)17-16(20)12-21-10-9-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3,(H2,17,18,19,20)
InChIKeyUGQAXLSMERSICQ-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.28
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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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
CID 48507728
3-[[2-(2-phenylethylsulfanyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528841
2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621077
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
3-amino-3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104618213
2-(benzimidazol-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621135
N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide
CID 25342928
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (CID 115621083) is 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is CCCc1cc(NC(=O)CSCCc2ccccc2)n[nH]1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UGQAXLSMERSICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-6-14-11-15(19-18-14)17-16(20)12-21-10-9-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115621083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).