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

C8H8F2N4 — CID 166104123

IUPAC1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine
SMILESCc1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C8H8F2N4/c1-5-2-11-6-3-12-14(4-7(9)10)8(6)13-5/h2-3,7H,4H2,1H3
InChIKeyKDZUSQRSZRFSAX-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.40
Rot. Bonds2

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

1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine (PubChem CID 166104123) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine
PubChem CID166104123
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine
SMILESCc1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C8H8F2N4/c1-5-2-11-6-3-12-14(4-7(9)10)8(6)13-5/h2-3,7H,4H2,1H3
InChIKeyKDZUSQRSZRFSAX-UHFFFAOYSA-N
XLogP1.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine (CID 166104123) is 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine is Cc1cnc2cnn(CC(F)F)c2n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is KDZUSQRSZRFSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c1-5-2-11-6-3-12-14(4-7(9)10)8(6)13-5/h2-3,7H,4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine?
1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 198.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).