N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine

C8H8F2N4 — CID 104731965

IUPACN-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)CNc1nccn2nccc12
InChIInChI=1S/C8H8F2N4/c9-7(10)5-12-8-6-1-2-13-14(6)4-3-11-8/h1-4,7H,5H2,(H,11,12)
InChIKeyICQFHVCUFBYEIC-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.41
Rot. Bonds3

About N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731965) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731965
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC NameN-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)CNc1nccn2nccc12
InChIInChI=1S/C8H8F2N4/c9-7(10)5-12-8-6-1-2-13-14(6)4-3-11-8/h1-4,7H,5H2,(H,11,12)
InChIKeyICQFHVCUFBYEIC-UHFFFAOYSA-N
XLogP1.41
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731965) is N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)CNc1nccn2nccc12.
What is the InChIKey of N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ICQFHVCUFBYEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c9-7(10)5-12-8-6-1-2-13-14(6)4-3-11-8/h1-4,7H,5H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 198.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).