5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C11H10F3N5 — CID 175970008

IUPAC5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cnc(N2CCn3nccc3C2)nc1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)8-5-15-10(16-6-8)18-3-4-19-9(7-18)1-2-17-19/h1-2,5-6H,3-4,7H2
InChIKeyANZHBVQXSQBQJA-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.71
Rot. Bonds1

About 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 175970008) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID175970008
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cnc(N2CCn3nccc3C2)nc1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)8-5-15-10(16-6-8)18-3-4-19-9(7-18)1-2-17-19/h1-2,5-6H,3-4,7H2
InChIKeyANZHBVQXSQBQJA-UHFFFAOYSA-N
XLogP1.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 175970008) is 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is FC(F)(F)c1cnc(N2CCn3nccc3C2)nc1.
What is the InChIKey of 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is ANZHBVQXSQBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c12-11(13,14)8-5-15-10(16-6-8)18-3-4-19-9(7-18)1-2-17-19/h1-2,5-6H,3-4,7H2.
What are the key properties of 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 269.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 175970008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).