6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

C7H5ClF2N4 — CID 166104103

IUPAC6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(Cl)nc21
InChIInChI=1S/C7H5ClF2N4/c8-5-2-11-4-1-12-14(3-6(9)10)7(4)13-5/h1-2,6H,3H2
InChIKeyISIOETSYCJVIRA-UHFFFAOYSA-N
MW218.59 g/mol
LogP1.74
Rot. Bonds2

About 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 166104103) has the molecular formula C7H5ClF2N4 and a molecular weight of 218.59 g/mol. Its IUPAC name is 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
PubChem CID166104103
Molecular FormulaC7H5ClF2N4
Molecular Weight218.59 g/mol
Exact Mass218.02
IUPAC Name6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(Cl)nc21
InChIInChI=1S/C7H5ClF2N4/c8-5-2-11-4-1-12-14(3-6(9)10)7(4)13-5/h1-2,6H,3H2
InChIKeyISIOETSYCJVIRA-UHFFFAOYSA-N
XLogP1.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-Diaza-1H-indazole
CID 12913751
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
1-Methyl-6-(trichloromethyl)pyrazolo[3,4-b]pyrazin-3-amine
CID 296470
1,5,6-trimethyl-1H-pyrazolo[3,4-b]pyrazine
CID 301595
4-Chloroimidazo(4,3-f)(1,2,4)triazine
CID 45480448
6-Chloro-1H-pyrazolo[3,4-b]pyrazine
CID 71463967
6-Chloropyrazolo[1,5-a]pyrimidin-3-amine
CID 84717303
Fluorotriazolopyrimidine
CID 69375370
3-Methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
CID 10011945
1-methyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 12259247
2-Methyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 12259248
5-Methyltriazolopyrimidine
CID 69403299

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (CID 166104103) is 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2ncc(Cl)nc21.
What is the InChIKey of 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is ISIOETSYCJVIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N4/c8-5-2-11-4-1-12-14(3-6(9)10)7(4)13-5/h1-2,6H,3H2.
What are the key properties of 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 218.59 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).