2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide

C9H7F3N4O2 — CID 162540442

IUPAC2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide
SMILESNC(=O)Cc1cn2nc(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18)
InChIKeyNUSDSBLRWBKVLY-UHFFFAOYSA-N
MW260.17 g/mol
LogP0.07
Rot. Bonds2

About 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide

2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide (PubChem CID 162540442) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide
PubChem CID162540442
Molecular FormulaC9H7F3N4O2
Molecular Weight260.17 g/mol
Exact Mass260.05
IUPAC Name2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide
SMILESNC(=O)Cc1cn2nc(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18)
InChIKeyNUSDSBLRWBKVLY-UHFFFAOYSA-N
XLogP0.07
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-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 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide?
The IUPAC name of 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide (CID 162540442) is 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide?
The canonical SMILES for 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide is NC(=O)Cc1cn2nc(C(F)(F)F)cc2c(=O)[nH]1.
What is the InChIKey of 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide?
The InChIKey is NUSDSBLRWBKVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18).
What are the key properties of 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide?
2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide has a molecular weight of 260.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-6-yl]acetamide is sourced from PubChem (CID 162540442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).