2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C124H116F2N32O4S — CID 160570459

About 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 160570459) has the molecular formula C124H116F2N32O4S and a molecular weight of 2188.57 g/mol. Its IUPAC name is 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• PubChem CID: 160570459
• Molecular Formula: C124H116F2N32O4S
• Molecular Weight: 2188.57 g/mol
• Exact Mass: 2186.95
• IUPAC Name: 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• SMILES: CS(=O)(=O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.Cc1cc(-c2cnn3ccnc(C4CCC(C#N)CC4)c23)ccc1-c1cnn(CC(C)(C)O)c1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC(F)F)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC(N)=O)c5)cc4)c23)CC1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1
• InChI: InChI=1S/C27H30N6O.C25H23N7.C24H20F2N6.C24H21N7O.C24H22N6O2S/c1-18-12-21(8-9-23(18)22-14-30-32(16-22)17-27(2,3)34)24-15-31-33-11-10-29-25(26(24)33)20-6-4-19(13-28)5-7-20;26-10-1-12-31-17-22(15-29-31)19-6-8-20(9-7-19)23-16-30-32-13-11-28-24(25(23)32)21-4-2-18(14-27)3-5-21;25-22(26)15-31-14-20(12-29-31)17-5-7-18(8-6-17)21-13-30-32-10-9-28-23(24(21)32)19-3-1-16(11-27)2-4-19;25-11-16-1-3-19(4-2-16)23-24-21(13-29-31(24)10-9-27-23)18-7-5-17(6-8-18)20-12-28-30(14-20)15-22(26)32;1-33(31,32)16-29-15-21(13-27-29)18-6-8-19(9-7-18)22-14-28-30-11-10-26-23(24(22)30)20-4-2-17(12-25)3-5-20/h8-12,14-16,19-20,34H,4-7,17H2,1-3H3;6-9,11,13,15-18,21H,1-5,12H2;3,5-10,12-14,16,22H,1-2,4,15H2;3,5-10,12-14,16H,1-2,4,15H2,(H2,26,32);4,6-11,13-15,17H,2-3,5,16H2,1H3
• InChIKey: RAMCPXIUCHKGDF-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 480.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2188.57
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The IUPAC name of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 160570459) is 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

What is the SMILES notation for 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The canonical SMILES for 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is CS(=O)(=O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.Cc1cc(-c2cnn3ccnc(C4CCC(C#N)CC4)c23)ccc1-c1cnn(CC(C)(C)O)c1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC(F)F)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC(N)=O)c5)cc4)c23)CC1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.

What is the InChIKey of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The InChIKey is RAMCPXIUCHKGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O.C25H23N7.C24H20F2N6.C24H21N7O.C24H22N6O2S/c1-18-12-21(8-9-23(18)22-14-30-32(16-22)17-27(2,3)34)24-15-31-33-11-10-29-25(26(24)33)20-6-4-19(13-28)5-7-20;26-10-1-12-31-17-22(15-29-31)19-6-8-20(9-7-19)23-16-30-32-13-11-28-24(25(23)32)21-4-2-18(14-27)3-5-21;25-22(26)15-31-14-20(12-29-31)17-5-7-18(8-6-17)21-13-30-32-10-9-28-23(24(21)32)19-3-1-16(11-27)2-4-19;25-11-16-1-3-19(4-2-16)23-24-21(13-29-31(24)10-9-27-23)18-7-5-17(6-8-18)20-12-28-30(14-20)15-22(26)32;1-33(31,32)16-29-15-21(13-27-29)18-6-8-19(9-7-18)22-14-28-30-11-10-26-23(24(22)30)20-4-2-17(12-25)3-5-20/h8-12,14-16,19-20,34H,4-7,17H2,1-3H3;6-9,11,13,15-18,21H,1-5,12H2;3,5-10,12-14,16,22H,1-2,4,15H2;3,5-10,12-14,16H,1-2,4,15H2,(H2,26,32);4,6-11,13-15,17H,2-3,5,16H2,1H3.

What are the key properties of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 2188.57 g/mol, XLogP of 22.76, 25 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 160570459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).