(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol

C20H25N7O — CID 121390932

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

(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 121390932) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
• PubChem CID: 121390932
• Molecular Formula: C20H25N7O
• Molecular Weight: 379.47 g/mol
• Exact Mass: 379.21
• IUPAC Name: (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](C)O)c3)cn3nccc23)cn1
• InChI: InChI=1S/C20H25N7O/c1-4-17(5-2)26-12-16(9-23-26)20-19-6-7-21-27(19)13-18(24-20)15-8-22-25(11-15)10-14(3)28/h6-9,11-14,17,28H,4-5,10H2,1-3H3/t14-/m0/s1
• InChIKey: KDFZIACXAYYZLE-AWEZNQCLSA-N
• XLogP: 3.20
• TPSA: 86.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?

The IUPAC name of (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) is (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.

What is the SMILES notation for (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?

The canonical SMILES for (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](C)O)c3)cn3nccc23)cn1.

What is the InChIKey of (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?

The InChIKey is KDFZIACXAYYZLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N7O/c1-4-17(5-2)26-12-16(9-23-26)20-19-6-7-21-27(19)13-18(24-20)15-8-22-25(11-15)10-14(3)28/h6-9,11-14,17,28H,4-5,10H2,1-3H3/t14-/m0/s1.

What are the key properties of (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?

(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 379.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 121390932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).