4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile

C71H65BrIN19 — CID 158752451

About 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile

4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile (PubChem CID 158752451) has the molecular formula C71H65BrIN19 and a molecular weight of 1391.24 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile
• PubChem CID: 158752451
• Molecular Formula: C71H65BrIN19
• Molecular Weight: 1391.24 g/mol
• Exact Mass: 1389.39
• IUPAC Name: 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile
• SMILES: CN(C)CCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(Br)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(I)c23)CC1.N#CC1CC=C(c2nccn3nccc23)CC1
• InChI: InChI=1S/C26H27N7.C19H15BrN4.C13H11IN4.C13H12N4/c1-31(2)13-14-32-18-23(16-29-32)20-7-9-21(10-8-20)24-17-30-33-12-11-28-25(26(24)33)22-5-3-19(15-27)4-6-22;20-16-7-5-14(6-8-16)17-12-23-24-10-9-22-18(19(17)24)15-3-1-13(11-21)2-4-15;14-11-8-17-18-6-5-16-12(13(11)18)10-3-1-9(7-15)2-4-10;14-9-10-1-3-11(4-2-10)13-12-5-6-16-17(12)8-7-15-13/h5,7-12,16-19H,3-4,6,13-14H2,1-2H3;3,5-10,12-13H,1-2,4H2;3,5-6,8-9H,1-2,4H2;3,5-8,10H,1-2,4H2
• InChIKey: INQOOSRNCUMXFD-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 236.98 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1391.24
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile?

The IUPAC name of 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile (CID 158752451) is 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile.

What is the SMILES notation for 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile?

The canonical SMILES for 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile is CN(C)CCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(Br)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(I)c23)CC1.N#CC1CC=C(c2nccn3nccc23)CC1.

What is the InChIKey of 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile?

The InChIKey is INQOOSRNCUMXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7.C19H15BrN4.C13H11IN4.C13H12N4/c1-31(2)13-14-32-18-23(16-29-32)20-7-9-21(10-8-20)24-17-30-33-12-11-28-25(26(24)33)22-5-3-19(15-27)4-6-22;20-16-7-5-14(6-8-16)17-12-23-24-10-9-22-18(19(17)24)15-3-1-13(11-21)2-4-15;14-11-8-17-18-6-5-16-12(13(11)18)10-3-1-9(7-15)2-4-10;14-9-10-1-3-11(4-2-10)13-12-5-6-16-17(12)8-7-15-13/h5,7-12,16-19H,3-4,6,13-14H2,1-2H3;3,5-10,12-13H,1-2,4H2;3,5-6,8-9H,1-2,4H2;3,5-8,10H,1-2,4H2.

What are the key properties of 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile?

4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile has a molecular weight of 1391.24 g/mol, XLogP of 14.87, 10 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-(3-iodopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 158752451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).