1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone

C22H26N8O — CID 121390965

IUPAC1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(C)=O)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H26N8O/c1-4-18(5-2)28-11-17(9-25-28)22-21-6-7-23-30(21)14-20(26-22)16-8-24-29(10-16)19-12-27(13-19)15(3)31/h6-11,14,18-19H,4-5,12-13H2,1-3H3
InChIKeyKQQKJEIPZFYFJH-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.22
Rot. Bonds6

About 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone

1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (PubChem CID 121390965) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
PubChem CID121390965
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(C)=O)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H26N8O/c1-4-18(5-2)28-11-17(9-25-28)22-21-6-7-23-30(21)14-20(26-22)16-8-24-29(10-16)19-12-27(13-19)15(3)31/h6-11,14,18-19H,4-5,12-13H2,1-3H3
InChIKeyKQQKJEIPZFYFJH-UHFFFAOYSA-N
XLogP3.22
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (CID 121390965) is 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(C)=O)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
The InChIKey is KQQKJEIPZFYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-4-18(5-2)28-11-17(9-25-28)22-21-6-7-23-30(21)14-20(26-22)16-8-24-29(10-16)19-12-27(13-19)15(3)31/h6-11,14,18-19H,4-5,12-13H2,1-3H3.
What are the key properties of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone has a molecular weight of 418.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 121390965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).