4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C102H98ClF2N25O4S — CID 161484991

IUPAC4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
SMILESCC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2Cl)cn1.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2F)cn1.CS(=O)(=O)CCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2F)cn1
InChIInChI=1S/C26H27ClN6O.C26H27FN6O.C25H20FN7.C25H24N6O2S/c2*1-26(2,34)16-32-15-20(13-30-32)21-8-7-19(11-23(21)27)22-14-31-33-10-9-29-24(25(22)33)18-5-3-17(12-28)4-6-18;26-23-12-19(6-7-21(23)20-14-30-32(16-20)10-1-8-27)22-15-31-33-11-9-29-24(25(22)33)18-4-2-17(13-28)3-5-18;1-34(32,33)13-12-30-17-22(15-28-30)19-6-8-20(9-7-19)23-16-29-31-11-10-27-24(25(23)31)21-4-2-18(14-26)3-5-21/h2*7-11,13-15,17-18,34H,3-6,16H2,1-2H3;4,6-7,9,11-12,14-17H,1-3,5,10H2;4,6-11,15-18H,2-3,5,12-13H2,1H3
InChIKeyWEWAADJPLJMSAQ-UHFFFAOYSA-N
MW1843.59 g/mol
LogP19.48
Rot. Bonds21

About 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 161484991) has the molecular formula C102H98ClF2N25O4S and a molecular weight of 1843.59 g/mol. Its IUPAC name is 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
PubChem CID161484991
Molecular FormulaC102H98ClF2N25O4S
Molecular Weight1843.59 g/mol
Exact Mass1841.76
IUPAC Name4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
SMILESCC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2Cl)cn1.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2F)cn1.CS(=O)(=O)CCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2F)cn1
InChIInChI=1S/C26H27ClN6O.C26H27FN6O.C25H20FN7.C25H24N6O2S/c2*1-26(2,34)16-32-15-20(13-30-32)21-8-7-19(11-23(21)27)22-14-31-33-10-9-29-24(25(22)33)18-5-3-17(12-28)4-6-18;26-23-12-19(6-7-21(23)20-14-30-32(16-20)10-1-8-27)22-15-31-33-11-9-29-24(25(22)33)18-4-2-17(13-28)3-5-18;1-34(32,33)13-12-30-17-22(15-28-30)19-6-8-20(9-7-19)23-16-29-31-11-10-27-24(25(23)31)21-4-2-18(14-26)3-5-21/h2*7-11,13-15,17-18,34H,3-6,16H2,1-2H3;4,6-7,9,11-12,14-17H,1-3,5,10H2;4,6-11,15-18H,2-3,5,12-13H2,1H3
InChIKeyWEWAADJPLJMSAQ-UHFFFAOYSA-N
XLogP19.48
TPSA385.59 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001843.59
LogP ≤ 519.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-[1-(Cyclobutylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(cyclopropylmethyl)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]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methylphenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
CID 159310791
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
2-[4-[4-[4-(4-Cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]pyrazol-1-yl]acetamide;4-[3-[4-[1-(cyanomethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-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-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
CID 161575158

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 161484991) is 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2Cl)cn1.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2F)cn1.CS(=O)(=O)CCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2)cn1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)cc2F)cn1.
What is the InChIKey of 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The InChIKey is WEWAADJPLJMSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O.C26H27FN6O.C25H20FN7.C25H24N6O2S/c2*1-26(2,34)16-32-15-20(13-30-32)21-8-7-19(11-23(21)27)22-14-31-33-10-9-29-24(25(22)33)18-5-3-17(12-28)4-6-18;26-23-12-19(6-7-21(23)20-14-30-32(16-20)10-1-8-27)22-15-31-33-11-9-29-24(25(22)33)18-4-2-17(13-28)3-5-18;1-34(32,33)13-12-30-17-22(15-28-30)19-6-8-20(9-7-19)23-16-29-31-11-10-27-24(25(23)31)21-4-2-18(14-26)3-5-21/h2*7-11,13-15,17-18,34H,3-6,16H2,1-2H3;4,6-7,9,11-12,14-17H,1-3,5,10H2;4,6-11,15-18H,2-3,5,12-13H2,1H3.
What are the key properties of 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 1843.59 g/mol, XLogP of 19.48, 21 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[3-fluoro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-methylsulfonylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 161484991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).