[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol

C24H32N8O — CID 121391076

IUPAC[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCNC4CC(CO)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H32N8O/c1-3-21(4-2)31-14-19(12-28-31)24-23-5-6-26-32(23)15-22(29-24)18-11-27-30(13-18)8-7-25-20-9-17(10-20)16-33/h5-6,11-15,17,20-21,25,33H,3-4,7-10,16H2,1-2H3
InChIKeyYMOTZDNJTZOVGM-UHFFFAOYSA-N
MW448.58 g/mol
LogP3.18
Rot. Bonds10

About [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol

[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol (PubChem CID 121391076) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol
PubChem CID121391076
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCNC4CC(CO)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H32N8O/c1-3-21(4-2)31-14-19(12-28-31)24-23-5-6-26-32(23)15-22(29-24)18-11-27-30(13-18)8-7-25-20-9-17(10-20)16-33/h5-6,11-15,17,20-21,25,33H,3-4,7-10,16H2,1-2H3
InChIKeyYMOTZDNJTZOVGM-UHFFFAOYSA-N
XLogP3.18
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
CID 145095906
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
CID 121390932
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391105
6-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121391046
(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121391064
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378497
(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378368
(2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391023
3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol
CID 166729958
4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 121378352
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121390926
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclopentan-1-ol
CID 121378413

Frequently Asked Questions

What is the IUPAC name of [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol?
The IUPAC name of [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol (CID 121391076) is [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol.
What is the SMILES notation for [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol?
The canonical SMILES for [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol is CCC(CC)n1cc(-c2nc(-c3cnn(CCNC4CC(CO)C4)c3)cn3nccc23)cn1.
What is the InChIKey of [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol?
The InChIKey is YMOTZDNJTZOVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-3-21(4-2)31-14-19(12-28-31)24-23-5-6-26-32(23)15-22(29-24)18-11-27-30(13-18)8-7-25-20-9-17(10-20)16-33/h5-6,11-15,17,20-21,25,33H,3-4,7-10,16H2,1-2H3.
What are the key properties of [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol?
[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol has a molecular weight of 448.58 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol is sourced from PubChem (CID 121391076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).