N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide

C18H18N4O2S — CID 1128182

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1c(NC(=O)CSc2ccccn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O2S/c1-13-17(20-15(23)12-25-16-10-6-7-11-19-16)18(24)22(21(13)2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyZRXGCDBBENIAAO-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.61
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 1128182) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID1128182
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1c(NC(=O)CSc2ccccn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O2S/c1-13-17(20-15(23)12-25-16-10-6-7-11-19-16)18(24)22(21(13)2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyZRXGCDBBENIAAO-UHFFFAOYSA-N
XLogP2.61
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide (CID 1128182) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide is Cc1c(NC(=O)CSc2ccccn2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is ZRXGCDBBENIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-17(20-15(23)12-25-16-10-6-7-11-19-16)18(24)22(21(13)2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 354.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 1128182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).