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

C23H30N8O — CID 121391008

IUPAC4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCOCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8O/c1-3-20(4-2)30-16-19(14-26-30)23-22-5-6-24-31(22)17-21(27-23)18-13-25-29(15-18)8-7-28-9-11-32-12-10-28/h5-6,13-17,20H,3-4,7-12H2,1-2H3
InChIKeyAJAWHQDUZDCYMQ-UHFFFAOYSA-N
MW434.55 g/mol
LogP3.15
Rot. Bonds8

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

4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 121391008) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID121391008
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCOCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8O/c1-3-20(4-2)30-16-19(14-26-30)23-22-5-6-24-31(22)17-21(27-23)18-13-25-29(15-18)8-7-28-9-11-32-12-10-28/h5-6,13-17,20H,3-4,7-12H2,1-2H3
InChIKeyAJAWHQDUZDCYMQ-UHFFFAOYSA-N
XLogP3.15
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine (CID 121391008) is 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine is CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCOCC4)c3)cn3nccc23)cn1.
What is the InChIKey of 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is AJAWHQDUZDCYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-3-20(4-2)30-16-19(14-26-30)23-22-5-6-24-31(22)17-21(27-23)18-13-25-29(15-18)8-7-28-9-11-32-12-10-28/h5-6,13-17,20H,3-4,7-12H2,1-2H3.
What are the key properties of 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 434.55 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 121391008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).