6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C23H29N7 — CID 149270321

IUPAC6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCCCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N7/c1-3-19(4-2)28-15-18(13-26-28)23-22-10-11-24-30(22)16-21(27-23)17-12-25-29(14-17)20-8-6-5-7-9-20/h10-16,19-20H,3-9H2,1-2H3
InChIKeyXQYFINBVRDAJMX-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.32
Rot. Bonds6

About 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 149270321) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID149270321
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC Name6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCCCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N7/c1-3-19(4-2)28-15-18(13-26-28)23-22-10-11-24-30(22)16-21(27-23)17-12-25-29(14-17)20-8-6-5-7-9-20/h10-16,19-20H,3-9H2,1-2H3
InChIKeyXQYFINBVRDAJMX-UHFFFAOYSA-N
XLogP5.32
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
[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
4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one
CID 163576653
[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
[(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
(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-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121391046
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
(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 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 149270321) is 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCCCC4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is XQYFINBVRDAJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-3-19(4-2)28-15-18(13-26-28)23-22-10-11-24-30(22)16-21(27-23)17-12-25-29(14-17)20-8-6-5-7-9-20/h10-16,19-20H,3-9H2,1-2H3.
What are the key properties of 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 403.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylpyrazol-4-yl)-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 149270321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).