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

C22H25N7O — CID 166736519

IUPAC3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C=C4CC(O)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H25N7O/c1-3-18(4-2)28-13-17(10-25-28)22-21-5-6-23-29(21)14-20(26-22)16-9-24-27(12-16)11-15-7-19(30)8-15/h5-6,9-14,18-19,30H,3-4,7-8H2,1-2H3/b15-11-
InChIKeyCSAOMGHDDIMNKS-PTNGSMBKSA-N
MW403.49 g/mol
LogP3.81
Rot. Bonds6

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

3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol (PubChem CID 166736519) has the molecular formula C22H25N7O and a molecular weight of 403.49 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]methylidene]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol
PubChem CID166736519
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C=C4CC(O)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H25N7O/c1-3-18(4-2)28-13-17(10-25-28)22-21-5-6-23-29(21)14-20(26-22)16-9-24-27(12-16)11-15-7-19(30)8-15/h5-6,9-14,18-19,30H,3-4,7-8H2,1-2H3/b15-11-
InChIKeyCSAOMGHDDIMNKS-PTNGSMBKSA-N
XLogP3.81
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 121378352
cis-(1R,2S)-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclopentan-1-ol
CID 121391065
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclopentan-1-ol
CID 121378413
(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
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378497
6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 149270321
(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
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
(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
(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

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]methylidene]cyclobutan-1-ol?
The IUPAC name of 3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol (CID 166736519) is 3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol.
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]methylidene]cyclobutan-1-ol?
The canonical SMILES for 3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C=C4CC(O)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]methylidene]cyclobutan-1-ol?
The InChIKey is CSAOMGHDDIMNKS-PTNGSMBKSA-N. The full InChI is InChI=1S/C22H25N7O/c1-3-18(4-2)28-13-17(10-25-28)22-21-5-6-23-29(21)14-20(26-22)16-9-24-27(12-16)11-15-7-19(30)8-15/h5-6,9-14,18-19,30H,3-4,7-8H2,1-2H3/b15-11-.
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]methylidene]cyclobutan-1-ol?
3-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methylidene]cyclobutan-1-ol has a molecular weight of 403.49 g/mol, XLogP of 3.81, 6 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]methylidene]cyclobutan-1-ol is sourced from PubChem (CID 166736519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).