4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C97H87F5N22O — CID 159327445

About 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 159327445) has the molecular formula C97H87F5N22O and a molecular weight of 1671.91 g/mol. Its IUPAC name is 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• PubChem CID: 159327445
• Molecular Formula: C97H87F5N22O
• Molecular Weight: 1671.91 g/mol
• Exact Mass: 1670.74
• IUPAC Name: 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• SMILES: CC(C)Cn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC6CC6)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CCF)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(OCC(F)(F)F)c(F)c4)c23)CC1
• InChI: InChI=1S/C26H24N6.C26H26N6.C24H21FN6.C21H16F4N4O/c27-13-18-3-5-22(6-4-18)25-26-24(15-30-32(26)12-11-28-25)21-9-7-20(8-10-21)23-14-29-31(17-23)16-19-1-2-19;1-18(2)16-31-17-23(14-29-31)20-7-9-21(10-8-20)24-15-30-32-12-11-28-25(26(24)32)22-5-3-19(13-27)4-6-22;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;22-17-9-15(5-6-18(17)30-12-21(23,24)25)16-11-28-29-8-7-27-19(20(16)29)14-3-1-13(10-26)2-4-14/h5,7-12,14-15,17-19H,1-4,6,16H2;5,7-12,14-15,17-19H,3-4,6,16H2,1-2H3;3,5-8,10,12,14-17H,1-2,4,9,11H2;3,5-9,11,13H,1-2,4,12H2
• InChIKey: LENUKDXMVKVIFC-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 278.61 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.91
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The IUPAC name of 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 159327445) is 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)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-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The canonical SMILES for 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is CC(C)Cn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC6CC6)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CCF)c5)cc4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc(OCC(F)(F)F)c(F)c4)c23)CC1.

What is the InChIKey of 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The InChIKey is LENUKDXMVKVIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6.C26H26N6.C24H21FN6.C21H16F4N4O/c27-13-18-3-5-22(6-4-18)25-26-24(15-30-32(26)12-11-28-25)21-9-7-20(8-10-21)23-14-29-31(17-23)16-19-1-2-19;1-18(2)16-31-17-23(14-29-31)20-7-9-21(10-8-20)24-15-30-32-12-11-28-25(26(24)32)22-5-3-19(13-27)4-6-22;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;22-17-9-15(5-6-18(17)30-12-21(23,24)25)16-11-28-29-8-7-27-19(20(16)29)14-3-1-13(10-26)2-4-14/h5,7-12,14-15,17-19H,1-4,6,16H2;5,7-12,14-15,17-19H,3-4,6,16H2,1-2H3;3,5-8,10,12,14-17H,1-2,4,9,11H2;3,5-9,11,13H,1-2,4,12H2.

What are the key properties of 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 1671.91 g/mol, XLogP of 21.12, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 159327445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).