4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C121H111F3N30O2 — CID 159410860

About 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 159410860) has the molecular formula C121H111F3N30O2 and a molecular weight of 2074.42 g/mol. Its IUPAC name is 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• PubChem CID: 159410860
• Molecular Formula: C121H111F3N30O2
• Molecular Weight: 2074.42 g/mol
• Exact Mass: 2072.95
• IUPAC Name: 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• SMILES: CC(C)(O)Cn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)C(N)=O)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cn[nH]c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCF)c5)cc4)c23)CC1.N#CCCCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1
• InChI: InChI=1S/C26H23N7.C26H27N5O2.C24H23FN6.C23H20F2N6.C22H18N6/c27-11-1-2-13-32-18-23(16-30-32)20-7-9-21(10-8-20)24-17-31-33-14-12-29-25(26(24)33)22-5-3-19(15-28)4-6-22;1-25(2,24(27)32)12-11-20-6-5-13-31-23(20)22(15-29-31)19-9-7-18(8-10-19)21-14-28-30(16-21)17-26(3,4)33;25-9-11-30-16-21(14-28-30)18-5-7-19(8-6-18)22-15-29-31-12-10-27-23(24(22)31)20-3-1-17(13-26)2-4-20;24-23(25)31-14-19(12-28-31)16-5-7-17(8-6-16)20-13-29-30-10-9-27-21(22(20)30)18-3-1-15(11-26)2-4-18;23-11-15-1-3-18(4-2-15)21-22-20(14-27-28(22)10-9-24-21)17-7-5-16(6-8-17)19-12-25-26-13-19/h5,7-10,12,14,16-19H,1-4,6,13H2;5-10,13-16,33H,17H2,1-4H3,(H2,27,32);5-8,10,12,14-17,20H,1-4,9,11H2;5-10,12-15,18,23H,1-4H2;3,5-10,12-15H,1-2,4H2,(H,25,26)
• InChIKey: LOOFILAYDLLPKL-UHFFFAOYSA-N
• XLogP: 23.74
• TPSA: 420.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.42
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The IUPAC name of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 159410860) is 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

What is the SMILES notation for 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The canonical SMILES for 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is CC(C)(O)Cn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)C(N)=O)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cn[nH]c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCF)c5)cc4)c23)CC1.N#CCCCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.

What is the InChIKey of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The InChIKey is LOOFILAYDLLPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7.C26H27N5O2.C24H23FN6.C23H20F2N6.C22H18N6/c27-11-1-2-13-32-18-23(16-30-32)20-7-9-21(10-8-20)24-17-31-33-14-12-29-25(26(24)33)22-5-3-19(15-28)4-6-22;1-25(2,24(27)32)12-11-20-6-5-13-31-23(20)22(15-29-31)19-9-7-18(8-10-19)21-14-28-30(16-21)17-26(3,4)33;25-9-11-30-16-21(14-28-30)18-5-7-19(8-6-18)22-15-29-31-12-10-27-23(24(22)31)20-3-1-17(13-26)2-4-20;24-23(25)31-14-19(12-28-31)16-5-7-17(8-6-16)20-13-29-30-10-9-27-21(22(20)30)18-3-1-15(11-26)2-4-18;23-11-15-1-3-18(4-2-15)21-22-20(14-27-28(22)10-9-24-21)17-7-5-16(6-8-17)19-12-25-26-13-19/h5,7-10,12,14,16-19H,1-4,6,13H2;5-10,13-16,33H,17H2,1-4H3,(H2,27,32);5-8,10,12,14-17,20H,1-4,9,11H2;5-10,12-15,18,23H,1-4H2;3,5-10,12-15H,1-2,4H2,(H,25,26).

What are the key properties of 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 2074.42 g/mol, XLogP of 23.74, 23 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-(1H-pyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 159410860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).