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

C22H28N8 — CID 121391098

IUPAC4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn([C@@H]4CCCNC4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8/c1-3-18(4-2)28-14-17(11-26-28)22-21-7-9-24-30(21)15-20(27-22)16-10-25-29(13-16)19-6-5-8-23-12-19/h7,9-11,13-15,18-19,23H,3-6,8,12H2,1-2H3/t19-/m1/s1
InChIKeyOFSGFLXKVHTUES-LJQANCHMSA-N
MW404.52 g/mol
LogP3.74
Rot. Bonds6

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

4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 121391098) has the molecular formula C22H28N8 and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID121391098
Molecular FormulaC22H28N8
Molecular Weight404.52 g/mol
Exact Mass404.24
IUPAC Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn([C@@H]4CCCNC4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8/c1-3-18(4-2)28-14-17(11-26-28)22-21-7-9-24-30(21)15-20(27-22)16-10-25-29(13-16)19-6-5-8-23-12-19/h7,9-11,13-15,18-19,23H,3-6,8,12H2,1-2H3/t19-/m1/s1
InChIKeyOFSGFLXKVHTUES-LJQANCHMSA-N
XLogP3.74
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 121391098) is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn([C@@H]4CCCNC4)c3)cn3nccc23)cn1.
What is the InChIKey of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is OFSGFLXKVHTUES-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N8/c1-3-18(4-2)28-14-17(11-26-28)22-21-7-9-24-30(21)15-20(27-22)16-10-25-29(13-16)19-6-5-8-23-12-19/h7,9-11,13-15,18-19,23H,3-6,8,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 404.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121391098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).