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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621083
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide
CID 115672265
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
CID 104620450

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).