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

C13H15FN4 — CID 171994745

IUPAC2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESFCC1CN(c2nccn3nc(C4CC4)cc23)C1
InChIInChI=1S/C13H15FN4/c14-6-9-7-17(8-9)13-12-5-11(10-1-2-10)16-18(12)4-3-15-13/h3-5,9-10H,1-2,6-8H2
InChIKeyQGTHLASSVKHIDW-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.01
Rot. Bonds3

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

2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 171994745) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID171994745
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESFCC1CN(c2nccn3nc(C4CC4)cc23)C1
InChIInChI=1S/C13H15FN4/c14-6-9-7-17(8-9)13-12-5-11(10-1-2-10)16-18(12)4-3-15-13/h3-5,9-10H,1-2,6-8H2
InChIKeyQGTHLASSVKHIDW-UHFFFAOYSA-N
XLogP2.01
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.01
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-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine (CID 171994745) is 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine is FCC1CN(c2nccn3nc(C4CC4)cc23)C1.
What is the InChIKey of 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is QGTHLASSVKHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-6-9-7-17(8-9)13-12-5-11(10-1-2-10)16-18(12)4-3-15-13/h3-5,9-10H,1-2,6-8H2.
What are the key properties of 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine?
2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 246.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 171994745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).