tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine

C63H84Cl2F10IN17O3 — CID 158917336

About tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine

tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine (PubChem CID 158917336) has the molecular formula C63H84Cl2F10IN17O3 and a molecular weight of 1515.27 g/mol. Its IUPAC name is tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine.

Molecular Properties

• Compound Name: tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine
• PubChem CID: 158917336
• Molecular Formula: C63H84Cl2F10IN17O3
• Molecular Weight: 1515.27 g/mol
• Exact Mass: 1513.52
• IUPAC Name: tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(N3CCC(F)(F)CC3)c2C1.FC1(F)CCN(c2cnn3c2CNCC3)CC1.FC1(F)CCNCC1.NC=C(I)C1=NCCNC1.Nc1ccc(F)c(Cl)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCC(F)(F)CC3)c2C1
• InChI: InChI=1S/C19H20ClF3N4O.C16H24F2N4O2.C11H16F2N4.C6H5ClFN.C6H10IN3.C5H9F2N/c20-14-9-13(1-2-15(14)21)10-18(28)26-7-8-27-17(12-26)16(11-24-27)25-5-3-19(22,23)4-6-25;1-15(2,3)24-14(23)21-8-9-22-13(11-21)12(10-19-22)20-6-4-16(17,18)5-7-20;12-11(13)1-4-16(5-2-11)9-8-15-17-6-3-14-7-10(9)17;7-5-3-4(9)1-2-6(5)8;7-5(3-8)6-4-9-1-2-10-6;6-5(7)1-3-8-4-2-5/h1-2,9,11H,3-8,10,12H2;10H,4-9,11H2,1-3H3;8,14H,1-7H2;1-3H,9H2;3,9H,1-2,4,8H2;8H,1-4H2
• InChIKey: OIZVKZZMURNNMP-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 213.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.27
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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 tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine?

The IUPAC name of tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine (CID 158917336) is tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine.

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

The canonical SMILES for tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine is CC(C)(C)OC(=O)N1CCn2ncc(N3CCC(F)(F)CC3)c2C1.FC1(F)CCN(c2cnn3c2CNCC3)CC1.FC1(F)CCNCC1.NC=C(I)C1=NCCNC1.Nc1ccc(F)c(Cl)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCC(F)(F)CC3)c2C1.

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

The InChIKey is OIZVKZZMURNNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O.C16H24F2N4O2.C11H16F2N4.C6H5ClFN.C6H10IN3.C5H9F2N/c20-14-9-13(1-2-15(14)21)10-18(28)26-7-8-27-17(12-26)16(11-24-27)25-5-3-19(22,23)4-6-25;1-15(2,3)24-14(23)21-8-9-22-13(11-21)12(10-19-22)20-6-4-16(17,18)5-7-20;12-11(13)1-4-16(5-2-11)9-8-15-17-6-3-14-7-10(9)17;7-5-3-4(9)1-2-6(5)8;7-5(3-8)6-4-9-1-2-10-6;6-5(7)1-3-8-4-2-5/h1-2,9,11H,3-8,10,12H2;10H,4-9,11H2,1-3H3;8,14H,1-7H2;1-3H,9H2;3,9H,1-2,4,8H2;8H,1-4H2.

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

tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine has a molecular weight of 1515.27 g/mol, XLogP of 10.92, 6 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-[3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-iodo-2-(1,2,3,6-tetrahydropyrazin-5-yl)ethenamine is sourced from PubChem (CID 158917336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).