tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C89H126BCl2F2IN16O9 — CID 158697092

About tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 158697092) has the molecular formula C89H126BCl2F2IN16O9 and a molecular weight of 1810.71 g/mol. Its IUPAC name is tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• PubChem CID: 158697092
• Molecular Formula: C89H126BCl2F2IN16O9
• Molecular Weight: 1810.71 g/mol
• Exact Mass: 1808.84
• IUPAC Name: tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(C3=CCCCC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C3CCCCC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.Nc1ccc(F)c(Cl)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(C3CCCCC3)c2C1.OB(O)C1=CCCCC1.c1nn2c(c1C1CCCCC1)CNCC2
• InChI: InChI=1S/C20H23ClFN3O.C17H27N3O2.C17H25N3O2.C12H19N3.C11H16IN3O2.C6H11BO2.C6H5ClFN/c21-17-10-14(6-7-18(17)22)11-20(26)24-8-9-25-19(13-24)16(12-23-25)15-4-2-1-3-5-15;2*1-17(2,3)22-16(21)19-9-10-20-15(12-19)14(11-18-20)13-7-5-4-6-8-13;1-2-4-10(5-3-1)11-8-14-15-7-6-13-9-12(11)15;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;8-7(9)6-4-2-1-3-5-6;7-5-3-4(9)1-2-6(5)8/h6-7,10,12,15H,1-5,8-9,11,13H2;11,13H,4-10,12H2,1-3H3;7,11H,4-6,8-10,12H2,1-3H3;8,10,13H,1-7,9H2;6H,4-5,7H2,1-3H3;4,8-9H,1-3,5H2;1-3H,9H2
• InChIKey: IHBUCQUQKOUNBI-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 276.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.71
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The IUPAC name of tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 158697092) is tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

What is the SMILES notation for tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The canonical SMILES for tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)OC(=O)N1CCn2ncc(C3=CCCCC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(C3CCCCC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.Nc1ccc(F)c(Cl)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(C3CCCCC3)c2C1.OB(O)C1=CCCCC1.c1nn2c(c1C1CCCCC1)CNCC2.

What is the InChIKey of tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The InChIKey is IHBUCQUQKOUNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O.C17H27N3O2.C17H25N3O2.C12H19N3.C11H16IN3O2.C6H11BO2.C6H5ClFN/c21-17-10-14(6-7-18(17)22)11-20(26)24-8-9-25-19(13-24)16(12-23-25)15-4-2-1-3-5-15;2*1-17(2,3)22-16(21)19-9-10-20-15(12-19)14(11-18-20)13-7-5-4-6-8-13;1-2-4-10(5-3-1)11-8-14-15-7-6-13-9-12(11)15;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;8-7(9)6-4-2-1-3-5-6;7-5-3-4(9)1-2-6(5)8/h6-7,10,12,15H,1-5,8-9,11,13H2;11,13H,4-10,12H2,1-3H3;7,11H,4-6,8-10,12H2,1-3H3;8,10,13H,1-7,9H2;6H,4-5,7H2,1-3H3;4,8-9H,1-3,5H2;1-3H,9H2.

What are the key properties of tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 1810.71 g/mol, XLogP of 18.41, 7 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclohexen-1-ylboronic acid;3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 158697092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).