N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide

C11H11N3OS — CID 25258061

IUPACN-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C11H11N3OS/c15-11(7-16)12-10-6-9(13-14-10)8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,12,13,14,15)
InChIKeyRNYVHBNOOYTLKH-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.95
Rot. Bonds3

About N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide

N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide (PubChem CID 25258061) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide
PubChem CID25258061
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C11H11N3OS/c15-11(7-16)12-10-6-9(13-14-10)8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,12,13,14,15)
InChIKeyRNYVHBNOOYTLKH-UHFFFAOYSA-N
XLogP1.95
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide (CID 25258061) is N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide is O=C(CS)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide?
The InChIKey is RNYVHBNOOYTLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-11(7-16)12-10-6-9(13-14-10)8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,12,13,14,15).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide?
N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide has a molecular weight of 233.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 25258061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).