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

C23H29N7O2 — CID 121390936

IUPAC4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCOCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N7O2/c1-3-19(4-2)29-14-18(12-26-29)22-21-5-8-24-30(21)15-20(27-22)17-11-25-28(13-17)16-23(31)6-9-32-10-7-23/h5,8,11-15,19,31H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyKPNPTVBBJSTLHR-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.36
Rot. Bonds7

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

4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol (PubChem CID 121390936) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 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]oxan-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]oxan-4-ol
PubChem CID121390936
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCOCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N7O2/c1-3-19(4-2)29-14-18(12-26-29)22-21-5-8-24-30(21)15-20(27-22)17-11-25-28(13-17)16-23(31)6-9-32-10-7-23/h5,8,11-15,19,31H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyKPNPTVBBJSTLHR-UHFFFAOYSA-N
XLogP3.36
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
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]oxan-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]oxan-4-ol (CID 121390936) is 4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-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]oxan-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]oxan-4-ol is CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCOCC4)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]oxan-4-ol?
The InChIKey is KPNPTVBBJSTLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-3-19(4-2)29-14-18(12-26-29)22-21-5-8-24-30(21)15-20(27-22)17-11-25-28(13-17)16-23(31)6-9-32-10-7-23/h5,8,11-15,19,31H,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]oxan-4-ol?
4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol has a molecular weight of 435.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 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]oxan-4-ol is sourced from PubChem (CID 121390936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).