N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide

C₂₅H₃₃N₉O — CID 121391094

About N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide

N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 121391094) has the molecular formula C₂₅H₃₃N₉O and a molecular weight of 475.60 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide
• PubChem CID: 121391094
• Molecular Formula: C₂₅H₃₃N₉O
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.28
• IUPAC Name: N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)N(C)C)CC4)c3)cn3nccc23)cn1
• InChI: InChI=1S/C25H33N9O/c1-5-20(6-2)32-16-19(14-28-32)24-23-7-10-26-34(23)17-22(29-24)18-13-27-33(15-18)21-8-11-31(12-9-21)25(35)30(3)4/h7,10,13-17,20-21H,5-6,8-9,11-12H2,1-4H3
• InChIKey: LDDOGZGJPXCIRH-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 89.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide (CID 121391094) is N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide.

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

The canonical SMILES for N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)N(C)C)CC4)c3)cn3nccc23)cn1.

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

The InChIKey is LDDOGZGJPXCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O/c1-5-20(6-2)32-16-19(14-28-32)24-23-7-10-26-34(23)17-22(29-24)18-13-27-33(15-18)21-8-11-31(12-9-21)25(35)30(3)4/h7,10,13-17,20-21H,5-6,8-9,11-12H2,1-4H3.

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

N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 121391094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121391094 — identifiers, structure, computed properties (public domain)

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