2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide

C15H16F3N5O2 — CID 70729786

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)10-1-2-14(25)22(8-10)9-13(24)20-6-11-5-12-7-19-3-4-23(12)21-11/h1-2,5,8,19H,3-4,6-7,9H2,(H,20,24)
InChIKeyKRMCGFSCGMSPSY-UHFFFAOYSA-N
MW355.32 g/mol
LogP0.48
Rot. Bonds4

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide (PubChem CID 70729786) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
PubChem CID70729786
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)10-1-2-14(25)22(8-10)9-13(24)20-6-11-5-12-7-19-3-4-23(12)21-11/h1-2,5,8,19H,3-4,6-7,9H2,(H,20,24)
InChIKeyKRMCGFSCGMSPSY-UHFFFAOYSA-N
XLogP0.48
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)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-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide (CID 70729786) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2n(n1)CCNC2.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide?
The InChIKey is KRMCGFSCGMSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c16-15(17,18)10-1-2-14(25)22(8-10)9-13(24)20-6-11-5-12-7-19-3-4-23(12)21-11/h1-2,5,8,19H,3-4,6-7,9H2,(H,20,24).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide has a molecular weight of 355.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 70729786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).