6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine

C11H5F3N4 — CID 175809421

IUPAC6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine
SMILESFc1cc(-c2cnc3cn[nH]c3n2)cc(F)c1F
InChIInChI=1S/C11H5F3N4/c12-6-1-5(2-7(13)10(6)14)8-3-15-9-4-16-18-11(9)17-8/h1-4H,(H,16,17,18)
InChIKeyPZESZPHTAWSYJW-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.44
Rot. Bonds1

About 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine

6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine (PubChem CID 175809421) has the molecular formula C11H5F3N4 and a molecular weight of 250.18 g/mol. Its IUPAC name is 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine
PubChem CID175809421
Molecular FormulaC11H5F3N4
Molecular Weight250.18 g/mol
Exact Mass250.05
IUPAC Name6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine
SMILESFc1cc(-c2cnc3cn[nH]c3n2)cc(F)c1F
InChIInChI=1S/C11H5F3N4/c12-6-1-5(2-7(13)10(6)14)8-3-15-9-4-16-18-11(9)17-8/h1-4H,(H,16,17,18)
InChIKeyPZESZPHTAWSYJW-UHFFFAOYSA-N
XLogP2.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine (CID 175809421) is 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine is Fc1cc(-c2cnc3cn[nH]c3n2)cc(F)c1F.
What is the InChIKey of 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine?
The InChIKey is PZESZPHTAWSYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4/c12-6-1-5(2-7(13)10(6)14)8-3-15-9-4-16-18-11(9)17-8/h1-4H,(H,16,17,18).
What are the key properties of 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine?
6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 250.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trifluorophenyl)-1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 175809421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).