N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide

C15H17N3O2S — CID 14955954

IUPACN-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Sc1c(C)nn(C(C)=O)c1C
InChIInChI=1S/C15H17N3O2S/c1-9-15(10(2)18(17-9)12(4)20)21-14-8-6-5-7-13(14)16-11(3)19/h5-8H,1-4H3,(H,16,19)
InChIKeyPUGCTYYXKOYRRM-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.27
Rot. Bonds3

About N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide

N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide (PubChem CID 14955954) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide
PubChem CID14955954
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Sc1c(C)nn(C(C)=O)c1C
InChIInChI=1S/C15H17N3O2S/c1-9-15(10(2)18(17-9)12(4)20)21-14-8-6-5-7-13(14)16-11(3)19/h5-8H,1-4H3,(H,16,19)
InChIKeyPUGCTYYXKOYRRM-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide (CID 14955954) is N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccccc1Sc1c(C)nn(C(C)=O)c1C.
What is the InChIKey of N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide?
The InChIKey is PUGCTYYXKOYRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-15(10(2)18(17-9)12(4)20)21-14-8-6-5-7-13(14)16-11(3)19/h5-8H,1-4H3,(H,16,19).
What are the key properties of N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide?
N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetyl-3,5-dimethylpyrazol-4-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 14955954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).