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

C24H30N8O — CID 121390962

IUPAC1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H30N8O/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3
InChIKeyIBNMAQFIGSSRFF-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.00
Rot. Bonds6

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

1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 121390962) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID121390962
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H30N8O/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3
InChIKeyIBNMAQFIGSSRFF-UHFFFAOYSA-N
XLogP4.00
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 121390962) is 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is IBNMAQFIGSSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 446.56 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 121390962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).