N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C17H16F2N4O4S — CID 56576834

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H16F2N4O4S/c1-9-11(10(2)23-14(20-9)8-16(25)22-23)7-15(24)21-12-5-3-4-6-13(12)28(26,27)17(18)19/h3-6,8,17H,7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBQKRQKLUPHGEHO-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 56576834) has the molecular formula C17H16F2N4O4S and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID56576834
Molecular FormulaC17H16F2N4O4S
Molecular Weight410.40 g/mol
Exact Mass410.09
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H16F2N4O4S/c1-9-11(10(2)23-14(20-9)8-16(25)22-23)7-15(24)21-12-5-3-4-6-13(12)28(26,27)17(18)19/h3-6,8,17H,7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBQKRQKLUPHGEHO-UHFFFAOYSA-N
XLogP1.82
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 56576834) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is BQKRQKLUPHGEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O4S/c1-9-11(10(2)23-14(20-9)8-16(25)22-23)7-15(24)21-12-5-3-4-6-13(12)28(26,27)17(18)19/h3-6,8,17H,7H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 410.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 56576834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).