4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C110H108N28O — CID 158051365

About 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 158051365) has the molecular formula C110H108N28O and a molecular weight of 1838.27 g/mol. Its IUPAC name is 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• PubChem CID: 158051365
• Molecular Formula: C110H108N28O
• Molecular Weight: 1838.27 g/mol
• Exact Mass: 1836.93
• IUPAC Name: 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• SMILES: CC(C)(C#N)Cn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCCC6)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CC6(C#N)CC6)c5)cc4)c23)CC1
• InChI: InChI=1S/C28H29N7O.C28H29N7.2C27H25N7/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33;29-17-21-3-5-24(6-4-21)27-28-26(19-32-35(28)14-11-30-27)23-9-7-22(8-10-23)25-18-31-34(20-25)16-15-33-12-1-2-13-33;28-13-19-1-3-22(4-2-19)25-26-24(15-32-34(26)12-11-30-25)21-7-5-20(6-8-21)23-14-31-33(16-23)18-27(17-29)9-10-27;1-27(2,17-29)18-33-16-23(14-31-33)20-7-9-21(10-8-20)24-15-32-34-12-11-30-25(26(24)34)22-5-3-19(13-28)4-6-22/h3,5-10,18-21H,1-2,4,11-16H2;5,7-11,14,18-21H,1-4,6,12-13,15-16H2;5-8,11-12,14-16,19,22H,1-4,9-10,18H2;5,7-12,14-16,19H,3-4,6,18H2,1-2H3
• InChIKey: FJNHXQKIYFFEIA-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 350.49 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.27
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The IUPAC name of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 158051365) is 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)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-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The canonical SMILES for 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is CC(C)(C#N)Cn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCCC6)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CC6(C#N)CC6)c5)cc4)c23)CC1.

What is the InChIKey of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The InChIKey is FJNHXQKIYFFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O.C28H29N7.2C27H25N7/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33;29-17-21-3-5-24(6-4-21)27-28-26(19-32-35(28)14-11-30-27)23-9-7-22(8-10-23)25-18-31-34(20-25)16-15-33-12-1-2-13-33;28-13-19-1-3-22(4-2-19)25-26-24(15-32-34(26)12-11-30-25)21-7-5-20(6-8-21)23-14-31-33(16-23)18-27(17-29)9-10-27;1-27(2,17-29)18-33-16-23(14-31-33)20-7-9-21(10-8-20)24-15-32-34-12-11-30-25(26(24)34)22-5-3-19(13-28)4-6-22/h3,5-10,18-21H,1-2,4,11-16H2;5,7-11,14,18-21H,1-4,6,12-13,15-16H2;5-8,11-12,14-16,19,22H,1-4,9-10,18H2;5,7-12,14-16,19H,3-4,6,18H2,1-2H3.

What are the key properties of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 1838.27 g/mol, XLogP of 20.24, 22 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 158051365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).