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

C23H29N7O — CID 121378468

IUPAC[3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4CC(CO)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N7O/c1-3-20(4-2)29-13-19(10-26-29)23-22-5-6-24-30(22)14-21(27-23)18-9-25-28(12-18)11-16-7-17(8-16)15-31/h5-6,9-10,12-14,16-17,20,31H,3-4,7-8,11,15H2,1-2H3
InChIKeyOXBWQUVGBOYGFN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.84
Rot. Bonds8

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

[3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol (PubChem CID 121378468) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol
PubChem CID121378468
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name[3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4CC(CO)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N7O/c1-3-20(4-2)29-13-19(10-26-29)23-22-5-6-24-30(22)14-21(27-23)18-9-25-28(12-18)11-16-7-17(8-16)15-31/h5-6,9-10,12-14,16-17,20,31H,3-4,7-8,11,15H2,1-2H3
InChIKeyOXBWQUVGBOYGFN-UHFFFAOYSA-N
XLogP3.84
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol?
The IUPAC name of [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol (CID 121378468) is [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol.
What is the SMILES notation for [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol?
The canonical SMILES for [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol is CCC(CC)n1cc(-c2nc(-c3cnn(CC4CC(CO)C4)c3)cn3nccc23)cn1.
What is the InChIKey of [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol?
The InChIKey is OXBWQUVGBOYGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-3-20(4-2)29-13-19(10-26-29)23-22-5-6-24-30(22)14-21(27-23)18-9-25-28(12-18)11-16-7-17(8-16)15-31/h5-6,9-10,12-14,16-17,20,31H,3-4,7-8,11,15H2,1-2H3.
What are the key properties of [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol?
[3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol has a molecular weight of 419.53 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]cyclobutyl]methanol is sourced from PubChem (CID 121378468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).