6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C20H25N7O2S — CID 121391007

IUPAC6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C20H25N7O2S/c1-4-17(5-2)26-13-16(11-23-26)20-19-6-7-21-27(19)14-18(24-20)15-10-22-25(12-15)8-9-30(3,28)29/h6-7,10-14,17H,4-5,8-9H2,1-3H3
InChIKeyYQBQXLRNAYEBCY-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.86
Rot. Bonds8

About 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121391007) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121391007
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C20H25N7O2S/c1-4-17(5-2)26-13-16(11-23-26)20-19-6-7-21-27(19)14-18(24-20)15-10-22-25(12-15)8-9-30(3,28)29/h6-7,10-14,17H,4-5,8-9H2,1-3H3
InChIKeyYQBQXLRNAYEBCY-UHFFFAOYSA-N
XLogP2.86
TPSA99.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121391007) is 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is YQBQXLRNAYEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-4-17(5-2)26-13-16(11-23-26)20-19-6-7-21-27(19)14-18(24-20)15-10-22-25(12-15)8-9-30(3,28)29/h6-7,10-14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 427.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121391007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).