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

C21H27N7O2S — CID 121390960

IUPAC6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O2S/c1-4-18(5-2)27-14-17(12-24-27)21-20-7-8-22-28(20)15-19(25-21)16-11-23-26(13-16)9-6-10-31(3,29)30/h7-8,11-15,18H,4-6,9-10H2,1-3H3
InChIKeyDWXUDRWPYWVKRB-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.25
Rot. Bonds9

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

6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121390960) has the molecular formula C21H27N7O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121390960
Molecular FormulaC21H27N7O2S
Molecular Weight441.56 g/mol
Exact Mass441.19
IUPAC Name6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O2S/c1-4-18(5-2)27-14-17(12-24-27)21-20-7-8-22-28(20)15-19(25-21)16-11-23-26(13-16)9-6-10-31(3,29)30/h7-8,11-15,18H,4-6,9-10H2,1-3H3
InChIKeyDWXUDRWPYWVKRB-UHFFFAOYSA-N
XLogP3.25
TPSA99.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121390960) is 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is DWXUDRWPYWVKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2S/c1-4-18(5-2)27-14-17(12-24-27)21-20-7-8-22-28(20)15-19(25-21)16-11-23-26(13-16)9-6-10-31(3,29)30/h7-8,11-15,18H,4-6,9-10H2,1-3H3.
What are the key properties of 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 441.56 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).