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

C10H12F2N4 — CID 166104045

IUPAC1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
SMILESCC(C)c1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C10H12F2N4/c1-6(2)7-3-13-8-4-14-16(5-9(11)12)10(8)15-7/h3-4,6,9H,5H2,1-2H3
InChIKeySOVUVCPDTVKECY-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.21
Rot. Bonds3

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

1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine (PubChem CID 166104045) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
PubChem CID166104045
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
SMILESCC(C)c1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C10H12F2N4/c1-6(2)7-3-13-8-4-14-16(5-9(11)12)10(8)15-7/h3-4,6,9H,5H2,1-2H3
InChIKeySOVUVCPDTVKECY-UHFFFAOYSA-N
XLogP2.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.21
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-propan-2-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine (CID 166104045) is 1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine is CC(C)c1cnc2cnn(CC(F)F)c2n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is SOVUVCPDTVKECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-6(2)7-3-13-8-4-14-16(5-9(11)12)10(8)15-7/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine?
1-(2,2-difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 226.23 g/mol, XLogP of 2.21, 3 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-propan-2-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).