2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine

C12H12F2N4 — CID 171995190

IUPAC2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESFC1(F)CN(c2nccn3nc(C4CC4)cc23)C1
InChIInChI=1S/C12H12F2N4/c13-12(14)6-17(7-12)11-10-5-9(8-1-2-8)16-18(10)4-3-15-11/h3-5,8H,1-2,6-7H2
InChIKeyMMVHWEHCKHMVPW-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.06
Rot. Bonds2

About 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine

2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 171995190) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine
PubChem CID171995190
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESFC1(F)CN(c2nccn3nc(C4CC4)cc23)C1
InChIInChI=1S/C12H12F2N4/c13-12(14)6-17(7-12)11-10-5-9(8-1-2-8)16-18(10)4-3-15-11/h3-5,8H,1-2,6-7H2
InChIKeyMMVHWEHCKHMVPW-UHFFFAOYSA-N
XLogP2.06
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine (CID 171995190) is 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine is FC1(F)CN(c2nccn3nc(C4CC4)cc23)C1.
What is the InChIKey of 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is MMVHWEHCKHMVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-12(14)6-17(7-12)11-10-5-9(8-1-2-8)16-18(10)4-3-15-11/h3-5,8H,1-2,6-7H2.
What are the key properties of 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine?
2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 250.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 171995190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).