6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C22H27FN8 — CID 121391056

IUPAC6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC(F)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27FN8/c1-3-19(4-2)30-12-17(10-26-30)22-21-5-6-24-31(21)15-20(27-22)16-9-25-29(11-16)8-7-28-13-18(23)14-28/h5-6,9-12,15,18-19H,3-4,7-8,13-14H2,1-2H3
InChIKeyZFVDBFPIDVFUKU-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.47
Rot. Bonds8

About 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121391056) has the molecular formula C22H27FN8 and a molecular weight of 422.51 g/mol. Its IUPAC name is 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121391056
Molecular FormulaC22H27FN8
Molecular Weight422.51 g/mol
Exact Mass422.23
IUPAC Name6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC(F)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27FN8/c1-3-19(4-2)30-12-17(10-26-30)22-21-5-6-24-31(21)15-20(27-22)16-9-25-29(11-16)8-7-28-13-18(23)14-28/h5-6,9-12,15,18-19H,3-4,7-8,13-14H2,1-2H3
InChIKeyZFVDBFPIDVFUKU-UHFFFAOYSA-N
XLogP3.47
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121391056) is 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC(F)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is ZFVDBFPIDVFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN8/c1-3-19(4-2)30-12-17(10-26-30)22-21-5-6-24-31(21)15-20(27-22)16-9-25-29(11-16)8-7-28-13-18(23)14-28/h5-6,9-12,15,18-19H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 422.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(3-fluoroazetidin-1-yl)ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121391056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).