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

C9H10F2N4 — CID 166104086

IUPAC1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine
SMILESCCc1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C9H10F2N4/c1-2-6-3-12-7-4-13-15(5-8(10)11)9(7)14-6/h3-4,8H,2,5H2,1H3
InChIKeyCBUGXAONTDWDKA-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.65
Rot. Bonds3

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

1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine (PubChem CID 166104086) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine
PubChem CID166104086
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine
SMILESCCc1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C9H10F2N4/c1-2-6-3-12-7-4-13-15(5-8(10)11)9(7)14-6/h3-4,8H,2,5H2,1H3
InChIKeyCBUGXAONTDWDKA-UHFFFAOYSA-N
XLogP1.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 301595
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CID 25247809
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CID 146154023
CID 146154023
CID 154577322
CID 154577322
CID 13011561
CID 13011561
CID 13548828
CID 13548828
CID 70778317
CID 70778317
CID 67345747
CID 67345747
CID 69640590
CID 69640590
CID 168654912
CID 168654912

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine (CID 166104086) is 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine is CCc1cnc2cnn(CC(F)F)c2n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine?
The InChIKey is CBUGXAONTDWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c1-2-6-3-12-7-4-13-15(5-8(10)11)9(7)14-6/h3-4,8H,2,5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine?
1-(2,2-difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine has a molecular weight of 212.20 g/mol, XLogP of 1.65, 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-ethylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).