2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine

C10H9BrF2N4 — CID 166374746

IUPAC2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC1(F)CC(Nc2nccn3nc(Br)cc23)C1
InChIInChI=1S/C10H9BrF2N4/c11-8-3-7-9(14-1-2-17(7)16-8)15-6-4-10(12,13)5-6/h1-3,6H,4-5H2,(H,14,15)
InChIKeyYTPHMSMOMVZHCQ-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.70
Rot. Bonds2

About 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine

2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 166374746) has the molecular formula C10H9BrF2N4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID166374746
Molecular FormulaC10H9BrF2N4
Molecular Weight303.11 g/mol
Exact Mass302.00
IUPAC Name2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC1(F)CC(Nc2nccn3nc(Br)cc23)C1
InChIInChI=1S/C10H9BrF2N4/c11-8-3-7-9(14-1-2-17(7)16-8)15-6-4-10(12,13)5-6/h1-3,6H,4-5H2,(H,14,15)
InChIKeyYTPHMSMOMVZHCQ-UHFFFAOYSA-N
XLogP2.70
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 166374746) is 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine is FC1(F)CC(Nc2nccn3nc(Br)cc23)C1.
What is the InChIKey of 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is YTPHMSMOMVZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N4/c11-8-3-7-9(14-1-2-17(7)16-8)15-6-4-10(12,13)5-6/h1-3,6H,4-5H2,(H,14,15).
What are the key properties of 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 303.11 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 166374746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).