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

C22H27N7O — CID 121391065

About 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

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 (PubChem CID 121391065) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 121391065
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: 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
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn([C@H]4CCC[C@H]4O)c3)cn3nccc23)cn1
• InChI: InChI=1S/C22H27N7O/c1-3-17(4-2)27-13-16(11-24-27)22-20-8-9-23-29(20)14-18(26-22)15-10-25-28(12-15)19-6-5-7-21(19)30/h8-14,17,19,21,30H,3-7H2,1-2H3/t19-,21+/m0/s1
• InChIKey: DVXZLEHKUCHABK-PZJWPPBQSA-N
• XLogP: 3.90
• TPSA: 86.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(CC)n1cc(-c2nc(-c3cnn([C@H]4CCC[C@H]4O)c3)cn3nccc23)cn1.

What is the InChIKey of 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?

The InChIKey is DVXZLEHKUCHABK-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H27N7O/c1-3-17(4-2)27-13-16(11-24-27)22-20-8-9-23-29(20)14-18(26-22)15-10-25-28(12-15)19-6-5-7-21(19)30/h8-14,17,19,21,30H,3-7H2,1-2H3/t19-,21+/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 405.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 121391065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).