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

C26H33N7O2 — CID 121378307

IUPAC[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CC(OC(=O)C(C)(C)C)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C26H33N7O2/c1-6-19(7-2)31-15-18(13-29-31)24-23-8-9-27-33(23)16-22(30-24)17-12-28-32(14-17)20-10-21(11-20)35-25(34)26(3,4)5/h8-9,12-16,19-21H,6-7,10-11H2,1-5H3
InChIKeyIGKDFKUFMNHGRP-UHFFFAOYSA-N
MW475.60 g/mol
LogP5.11
Rot. Bonds7

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

[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate (PubChem CID 121378307) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 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]cyclobutyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate
PubChem CID121378307
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CC(OC(=O)C(C)(C)C)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C26H33N7O2/c1-6-19(7-2)31-15-18(13-29-31)24-23-8-9-27-33(23)16-22(30-24)17-12-28-32(14-17)20-10-21(11-20)35-25(34)26(3,4)5/h8-9,12-16,19-21H,6-7,10-11H2,1-5H3
InChIKeyIGKDFKUFMNHGRP-UHFFFAOYSA-N
XLogP5.11
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 149270321
[(2S)-1-oxo-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-2-yl] acetate
CID 121378324
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclopentan-1-ol
CID 121378413
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-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid
CID 121378278
2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 161340892
(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
4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one
CID 163576653
4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 146499039
(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

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]cyclobutyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate (CID 121378307) is [3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate.
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]cyclobutyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate is CCC(CC)n1cc(-c2nc(-c3cnn(C4CC(OC(=O)C(C)(C)C)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]cyclobutyl] 2,2-dimethylpropanoate?
The InChIKey is IGKDFKUFMNHGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-6-19(7-2)31-15-18(13-29-31)24-23-8-9-27-33(23)16-22(30-24)17-12-28-32(14-17)20-10-21(11-20)35-25(34)26(3,4)5/h8-9,12-16,19-21H,6-7,10-11H2,1-5H3.
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]cyclobutyl] 2,2-dimethylpropanoate?
[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]cyclobutyl] 2,2-dimethylpropanoate has a molecular weight of 475.60 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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]cyclobutyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 121378307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).