2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C12H11F3N4 — CID 118048317

IUPAC2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-2-1-3-17-11(9)10-6-8-7-16-4-5-19(8)18-10/h1-3,6,16H,4-5,7H2
InChIKeyMIZLYBVWYVNEBQ-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.07
Rot. Bonds1

About 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 118048317) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID118048317
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-2-1-3-17-11(9)10-6-8-7-16-4-5-19(8)18-10/h1-3,6,16H,4-5,7H2
InChIKeyMIZLYBVWYVNEBQ-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 118048317) is 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is FC(F)(F)c1cccnc1-c1cc2n(n1)CCNC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is MIZLYBVWYVNEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)9-2-1-3-17-11(9)10-6-8-7-16-4-5-19(8)18-10/h1-3,6,16H,4-5,7H2.
What are the key properties of 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 268.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118048317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).