tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane

C73H94ClN15O10 — CID 160669588

About tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane

tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane (PubChem CID 160669588) has the molecular formula C73H94ClN15O10 and a molecular weight of 1377.10 g/mol. Its IUPAC name is tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane.

Molecular Properties

• Compound Name: tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane
• PubChem CID: 160669588
• Molecular Formula: C73H94ClN15O10
• Molecular Weight: 1377.10 g/mol
• Exact Mass: 1375.70
• IUPAC Name: tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane
• SMILES: C.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)c1cc(Cl)n2nc(C)c(-c3c(C)cccc3C)c2n1.Cc1cccc(C)c1-c1c(C)nn2c(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(=O)O)nc12.Cc1cccc(C)c1-c1c(C)nn2c(N3CCNCC3)cc(C(=O)O)nc12
• InChI: InChI=1S/C25H31N5O4.C20H23N5O2.C18H18ClN3O2.C9H18N2O2.CH4/c1-15-8-7-9-16(2)20(15)21-17(3)27-30-19(14-18(23(31)32)26-22(21)30)28-10-12-29(13-11-28)24(33)34-25(4,5)6;1-12-5-4-6-13(2)17(12)18-14(3)23-25-16(24-9-7-21-8-10-24)11-15(20(26)27)22-19(18)25;1-5-24-18(23)13-9-14(19)22-17(20-13)16(12(4)21-22)15-10(2)7-6-8-11(15)3;1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h7-9,14H,10-13H2,1-6H3,(H,31,32);4-6,11,21H,7-10H2,1-3H3,(H,26,27);6-9H,5H2,1-4H3;10H,4-7H2,1-3H3;1H4
• InChIKey: RMTFLMOLSUVNIR-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 281.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.10
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane?

The IUPAC name of tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane (CID 160669588) is tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane.

What is the SMILES notation for tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane?

The canonical SMILES for tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane is C.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)c1cc(Cl)n2nc(C)c(-c3c(C)cccc3C)c2n1.Cc1cccc(C)c1-c1c(C)nn2c(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(=O)O)nc12.Cc1cccc(C)c1-c1c(C)nn2c(N3CCNCC3)cc(C(=O)O)nc12.

What is the InChIKey of tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane?

The InChIKey is RMTFLMOLSUVNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4.C20H23N5O2.C18H18ClN3O2.C9H18N2O2.CH4/c1-15-8-7-9-16(2)20(15)21-17(3)27-30-19(14-18(23(31)32)26-22(21)30)28-10-12-29(13-11-28)24(33)34-25(4,5)6;1-12-5-4-6-13(2)17(12)18-14(3)23-25-16(24-9-7-21-8-10-24)11-15(20(26)27)22-19(18)25;1-5-24-18(23)13-9-14(19)22-17(20-13)16(12(4)21-22)15-10(2)7-6-8-11(15)3;1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h7-9,14H,10-13H2,1-6H3,(H,31,32);4-6,11,21H,7-10H2,1-3H3,(H,26,27);6-9H,5H2,1-4H3;10H,4-7H2,1-3H3;1H4.

What are the key properties of tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane?

tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane has a molecular weight of 1377.10 g/mol, XLogP of 12.12, 9 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl piperazine-1-carboxylate;3-(2,6-dimethylphenyl)-2-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;3-(2,6-dimethylphenyl)-2-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;methane is sourced from PubChem (CID 160669588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).