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

C23H30N8O2S — CID 121391010

IUPAC6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8O2S/c1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
InChIKeyRBNSBPUEWYMQRJ-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.41
Rot. Bonds7

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

6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121391010) has the molecular formula C23H30N8O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121391010
Molecular FormulaC23H30N8O2S
Molecular Weight482.61 g/mol
Exact Mass482.22
IUPAC Name6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8O2S/c1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
InChIKeyRBNSBPUEWYMQRJ-UHFFFAOYSA-N
XLogP3.41
TPSA103.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121391010) is 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is RBNSBPUEWYMQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2S/c1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 482.61 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).