N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone

C91H117N36O4P — CID 158777806

About N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone

N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (PubChem CID 158777806) has the molecular formula C91H117N36O4P and a molecular weight of 1810.16 g/mol. Its IUPAC name is N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
• PubChem CID: 158777806
• Molecular Formula: C91H117N36O4P
• Molecular Weight: 1810.16 g/mol
• Exact Mass: 1808.98
• IUPAC Name: N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)N(C)C)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)NC)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(C)=O)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(P(=O)(N(C)C)N(C)C)C4)c3)cn3nccc23)cn1
• InChI: InChI=1S/C24H35N10OP.C23H29N9O.C22H27N9O.C22H26N8O/c1-7-20(8-2)32-14-19(12-27-32)24-23-9-10-25-34(23)17-22(28-24)18-11-26-33(13-18)21-15-31(16-21)36(35,29(3)4)30(5)6;1-5-18(6-2)30-12-17(10-26-30)22-21-7-8-24-32(21)15-20(27-22)16-9-25-31(11-16)19-13-29(14-19)23(33)28(3)4;1-4-17(5-2)29-11-16(9-26-29)21-20-6-7-24-31(20)14-19(27-21)15-8-25-30(10-15)18-12-28(13-18)22(32)23-3;1-4-18(5-2)28-11-17(9-25-28)22-21-6-7-23-30(21)14-20(26-22)16-8-24-29(10-16)19-12-27(13-19)15(3)31/h9-14,17,20-21H,7-8,15-16H2,1-6H3;7-12,15,18-19H,5-6,13-14H2,1-4H3;6-11,14,17-18H,4-5,12-13H2,1-3H3,(H,23,32);6-11,14,18-19H,4-5,12-13H2,1-3H3
• InChIKey: IQRPLHXMGXCUMI-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 366.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.16
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

The IUPAC name of N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (CID 158777806) is N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.

What is the SMILES notation for N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

The canonical SMILES for N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)N(C)C)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)NC)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(C)=O)C4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(P(=O)(N(C)C)N(C)C)C4)c3)cn3nccc23)cn1.

What is the InChIKey of N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

The InChIKey is IQRPLHXMGXCUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N10OP.C23H29N9O.C22H27N9O.C22H26N8O/c1-7-20(8-2)32-14-19(12-27-32)24-23-9-10-25-34(23)17-22(28-24)18-11-26-33(13-18)21-15-31(16-21)36(35,29(3)4)30(5)6;1-5-18(6-2)30-12-17(10-26-30)22-21-7-8-24-32(21)15-20(27-22)16-9-25-31(11-16)19-13-29(14-19)23(33)28(3)4;1-4-17(5-2)29-11-16(9-26-29)21-20-6-7-24-31(20)14-19(27-21)15-8-25-30(10-15)18-12-28(13-18)22(32)23-3;1-4-18(5-2)28-11-17(9-25-28)22-21-6-7-23-30(21)14-20(26-22)16-8-24-29(10-16)19-12-27(13-19)15(3)31/h9-14,17,20-21H,7-8,15-16H2,1-6H3;7-12,15,18-19H,5-6,13-14H2,1-4H3;6-11,14,17-18H,4-5,12-13H2,1-3H3,(H,23,32);6-11,14,18-19H,4-5,12-13H2,1-3H3.

What are the key properties of N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?

N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone has a molecular weight of 1810.16 g/mol, XLogP of 13.50, 27 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[dimethylamino-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]phosphoryl]-N-methylmethanamine;N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide;1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 158777806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).