3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine

C11H14FN5 — CID 123427326

IUPAC3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nn(C)c2ncnc(N3CC(F)C3)c12
InChIInChI=1S/C11H14FN5/c1-3-8-9-10(16(2)15-8)13-6-14-11(9)17-4-7(12)5-17/h6-7H,3-5H2,1-2H3
InChIKeyGHMFRQKZFYWHQP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.08
Rot. Bonds2

About 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine

3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 123427326) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID123427326
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nn(C)c2ncnc(N3CC(F)C3)c12
InChIInChI=1S/C11H14FN5/c1-3-8-9-10(16(2)15-8)13-6-14-11(9)17-4-7(12)5-17/h6-7H,3-5H2,1-2H3
InChIKeyGHMFRQKZFYWHQP-UHFFFAOYSA-N
XLogP1.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine (CID 123427326) is 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine is CCc1nn(C)c2ncnc(N3CC(F)C3)c12.
What is the InChIKey of 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GHMFRQKZFYWHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-3-8-9-10(16(2)15-8)13-6-14-11(9)17-4-7(12)5-17/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 235.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 123427326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).