2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H14F3N5O2 — CID 70734631

IUPAC2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc2n(n1)CCNC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-2-1-10(13(24)20-11)12(23)19-6-8-5-9-7-18-3-4-22(9)21-8/h1-2,5,18H,3-4,6-7H2,(H,19,23)(H,20,24)
InChIKeyUROUDVJQFBGOQQ-UHFFFAOYSA-N
MW341.29 g/mol
LogP0.62
Rot. Bonds3

About 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 70734631) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID70734631
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc2n(n1)CCNC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-2-1-10(13(24)20-11)12(23)19-6-8-5-9-7-18-3-4-22(9)21-8/h1-2,5,18H,3-4,6-7H2,(H,19,23)(H,20,24)
InChIKeyUROUDVJQFBGOQQ-UHFFFAOYSA-N
XLogP0.62
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 70734631) is 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCc1cc2n(n1)CCNC2)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UROUDVJQFBGOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)11-2-1-10(13(24)20-11)12(23)19-6-8-5-9-7-18-3-4-22(9)21-8/h1-2,5,18H,3-4,6-7H2,(H,19,23)(H,20,24).
What are the key properties of 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70734631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).