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

C23H30N8O — CID 121378446

IUPAC4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCNCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-27-30)22-21-5-8-25-31(21)15-20(28-22)17-11-26-29(13-17)16-23(32)6-9-24-10-7-23/h5,8,11-15,19,24,32H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyZUXWPTUABRHWBA-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.93
Rot. Bonds7

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

4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol (PubChem CID 121378446) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol
PubChem CID121378446
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCNCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-27-30)22-21-5-8-25-31(21)15-20(28-22)17-11-26-29(13-17)16-23(32)6-9-24-10-7-23/h5,8,11-15,19,24,32H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyZUXWPTUABRHWBA-UHFFFAOYSA-N
XLogP2.93
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol (CID 121378446) is 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol is CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCNCC4)c3)cn3nccc23)cn1.
What is the InChIKey of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?
The InChIKey is ZUXWPTUABRHWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-27-30)22-21-5-8-25-31(21)15-20(28-22)17-11-26-29(13-17)16-23(32)6-9-24-10-7-23/h5,8,11-15,19,24,32H,3-4,6-7,9-10,16H2,1-2H3.
What are the key properties of 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol?
4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 434.55 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 121378446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).