2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C12H12F2N4OS — CID 43445313

IUPAC2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C12H12F2N4OS/c13-12(14)20-10-4-2-1-3-9(10)17-11(19)7-18-6-8(15)5-16-18/h1-6,12H,7,15H2,(H,17,19)
InChIKeyACRUANOYALDEOB-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 43445313) has the molecular formula C12H12F2N4OS and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID43445313
Molecular FormulaC12H12F2N4OS
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccccc2SC(F)F)c1
InChIInChI=1S/C12H12F2N4OS/c13-12(14)20-10-4-2-1-3-9(10)17-11(19)7-18-6-8(15)5-16-18/h1-6,12H,7,15H2,(H,17,19)
InChIKeyACRUANOYALDEOB-UHFFFAOYSA-N
XLogP2.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 43445313) is 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is Nc1cnn(CC(=O)Nc2ccccc2SC(F)F)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is ACRUANOYALDEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4OS/c13-12(14)20-10-4-2-1-3-9(10)17-11(19)7-18-6-8(15)5-16-18/h1-6,12H,7,15H2,(H,17,19).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 43445313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).