N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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

C62H78N22O5S2 — CID 157366489

About N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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

N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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 157366489) has the molecular formula C62H78N22O5S2 and a molecular weight of 1275.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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: 157366489
• Molecular Formula: C62H78N22O5S2
• Molecular Weight: 1275.59 g/mol
• Exact Mass: 1274.60
• IUPAC Name: N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1
• InChI: InChI=1S/C21H26N8O.C21H27N7O2S.C20H25N7O2S/c1-5-17(6-2)28-12-16(10-24-28)21-19-7-8-22-29(19)13-18(25-21)15-9-23-27(11-15)14-20(30)26(3)4;1-4-18(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;1-4-17(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/h7-13,17H,5-6,14H2,1-4H3;7-8,11-15,18H,4-6,9-10H2,1-3H3;6-7,10-14,17H,4-5,8-9H2,1-3H3
• InChIKey: BJFXREHNBWGPSR-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 286.08 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.59
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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?

The IUPAC name of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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 (CID 157366489) is N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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.

What is the SMILES notation for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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?

The canonical SMILES for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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 is CCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCCS(C)(=O)=O)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CCS(C)(=O)=O)c3)cn3nccc23)cn1.

What is the InChIKey of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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?

The InChIKey is BJFXREHNBWGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O.C21H27N7O2S.C20H25N7O2S/c1-5-17(6-2)28-12-16(10-24-28)21-19-7-8-22-29(19)13-18(25-21)15-9-23-27(11-15)14-20(30)26(3)4;1-4-18(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;1-4-17(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/h7-13,17H,5-6,14H2,1-4H3;7-8,11-15,18H,4-6,9-10H2,1-3H3;6-7,10-14,17H,4-5,8-9H2,1-3H3.

What are the key properties of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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?

N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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 1275.59 g/mol, XLogP of 9.02, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]acetamide;6-[1-(2-methylsulfonylethyl)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 is sourced from PubChem (CID 157366489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).