6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine

C12H7ClF2N4 — CID 175200785

IUPAC6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine
SMILESFC(F)c1cc(-c2cnc3cn[nH]c3n2)ccc1Cl
InChIInChI=1S/C12H7ClF2N4/c13-8-2-1-6(3-7(8)11(14)15)9-4-16-10-5-17-19-12(10)18-9/h1-5,11H,(H,17,18,19)
InChIKeyGHZHTFWREUPTHR-UHFFFAOYSA-N
MW280.67 g/mol
LogP3.61
Rot. Bonds2

About 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine

6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine (PubChem CID 175200785) has the molecular formula C12H7ClF2N4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine
PubChem CID175200785
Molecular FormulaC12H7ClF2N4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine
SMILESFC(F)c1cc(-c2cnc3cn[nH]c3n2)ccc1Cl
InChIInChI=1S/C12H7ClF2N4/c13-8-2-1-6(3-7(8)11(14)15)9-4-16-10-5-17-19-12(10)18-9/h1-5,11H,(H,17,18,19)
InChIKeyGHZHTFWREUPTHR-UHFFFAOYSA-N
XLogP3.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine (CID 175200785) is 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine is FC(F)c1cc(-c2cnc3cn[nH]c3n2)ccc1Cl.
What is the InChIKey of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
The InChIKey is GHZHTFWREUPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N4/c13-8-2-1-6(3-7(8)11(14)15)9-4-16-10-5-17-19-12(10)18-9/h1-5,11H,(H,17,18,19).
What are the key properties of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 280.67 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 175200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).