acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole

C73H95Cl2CuF2IN20O9 — CID 159897445

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

acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole (PubChem CID 159897445) has the molecular formula C73H95Cl2CuF2IN20O9 and a molecular weight of 1696.05 g/mol. Its IUPAC name is acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole.

Molecular Properties

• Compound Name: acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole
• PubChem CID: 159897445
• Molecular Formula: C73H95Cl2CuF2IN20O9
• Molecular Weight: 1696.05 g/mol
• Exact Mass: 1693.53
• IUPAC Name: acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole
• SMILES: CC(=O)O.CC(=O)O.CC1=CCN=C1.CC1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.Cc1cnn(-c2cnn3c2CN(C(=O)Cc2ccc(F)c(Cl)c2)C(C)C3)c1.Cc1cnn(-c2cnn3c2CN(C(=O)OC(C)(C)C)C(C)C3)c1.Cc1cnn(-c2cnn3c2CNC(C)C3)c1.Nc1ccc(F)c(Cl)c1.[Cu]
• InChI: InChI=1S/C19H19ClFN5O.C16H23N5O2.C12H18IN3O2.C11H15N5.C6H5ClFN.C5H7N.2C2H4O2.Cu/c1-12-7-22-25(9-12)17-8-23-26-10-13(2)24(11-18(17)26)19(27)6-14-3-4-16(21)15(20)5-14;1-11-6-17-20(8-11)13-7-18-21-9-12(2)19(10-14(13)21)15(22)23-16(3,4)5;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-8-3-13-15(6-8)11-5-14-16-7-9(2)12-4-10(11)16;7-5-3-4(9)1-2-6(5)8;1-5-2-3-6-4-5;2*1-2(3)4;/h3-5,7-9,13H,6,10-11H2,1-2H3;6-8,12H,9-10H2,1-5H3;5,8H,6-7H2,1-4H3;3,5-6,9,12H,4,7H2,1-2H3;1-3H,9H2;2,4H,3H2,1H3;2*1H3,(H,3,4)
• InChIKey: QPPIHFZHYCVTGV-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 329.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 5
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1696.05
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole (CID 159897445) is acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole.

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

The canonical SMILES for acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole is CC(=O)O.CC(=O)O.CC1=CCN=C1.CC1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.Cc1cnn(-c2cnn3c2CN(C(=O)Cc2ccc(F)c(Cl)c2)C(C)C3)c1.Cc1cnn(-c2cnn3c2CN(C(=O)OC(C)(C)C)C(C)C3)c1.Cc1cnn(-c2cnn3c2CNC(C)C3)c1.Nc1ccc(F)c(Cl)c1.[Cu].

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

The InChIKey is QPPIHFZHYCVTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O.C16H23N5O2.C12H18IN3O2.C11H15N5.C6H5ClFN.C5H7N.2C2H4O2.Cu/c1-12-7-22-25(9-12)17-8-23-26-10-13(2)24(11-18(17)26)19(27)6-14-3-4-16(21)15(20)5-14;1-11-6-17-20(8-11)13-7-18-21-9-12(2)19(10-14(13)21)15(22)23-16(3,4)5;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-8-3-13-15(6-8)11-5-14-16-7-9(2)12-4-10(11)16;7-5-3-4(9)1-2-6(5)8;1-5-2-3-6-4-5;2*1-2(3)4;/h3-5,7-9,13H,6,10-11H2,1-2H3;6-8,12H,9-10H2,1-5H3;5,8H,6-7H2,1-4H3;3,5-6,9,12H,4,7H2,1-2H3;1-3H,9H2;2,4H,3H2,1H3;2*1H3,(H,3,4);.

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

acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole has a molecular weight of 1696.05 g/mol, XLogP of 12.41, 5 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;tert-butyl 3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[6-methyl-3-(4-methylpyrazol-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;copper;6-methyl-3-(4-methylpyrazol-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;4-methyl-2H-pyrrole is sourced from PubChem (CID 159897445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).