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

C10H14N4OS — CID 115621077

IUPAC2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CSCC#N)n[nH]1
InChIInChI=1S/C10H14N4OS/c1-2-3-8-6-9(14-13-8)12-10(15)7-16-5-4-11/h6H,2-3,5,7H2,1H3,(H2,12,13,14,15)
InChIKeyNTMVAJXGWFVUHU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.56
Rot. Bonds6

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

2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115621077) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
PubChem CID115621077
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)CSCC#N)n[nH]1
InChIInChI=1S/C10H14N4OS/c1-2-3-8-6-9(14-13-8)12-10(15)7-16-5-4-11/h6H,2-3,5,7H2,1H3,(H2,12,13,14,15)
InChIKeyNTMVAJXGWFVUHU-UHFFFAOYSA-N
XLogP1.56
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.56
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 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (CID 115621077) is 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is CCCc1cc(NC(=O)CSCC#N)n[nH]1.
What is the InChIKey of 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is NTMVAJXGWFVUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-3-8-6-9(14-13-8)12-10(15)7-16-5-4-11/h6H,2-3,5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 238.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115621077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).