3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol

C87H111F3N28O4 — CID 159718220

IUPAC3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)C(C)(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)C(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CC(F)(F)F)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CC)c3)cn3nccc23)cn1
InChIInChI=1S/C23H31N7O.C22H29N7O.C21H24F3N7O.C21H27N7O/c1-6-18(7-2)29-13-17(11-26-29)22-20-8-9-24-30(20)14-19(27-22)16-10-25-28(12-16)15-21(31)23(3,4)5;1-5-18(6-2)28-12-17(10-25-28)22-20-7-8-23-29(20)13-19(26-22)16-9-24-27(11-16)14-21(30)15(3)4;1-3-16(4-2)30-11-15(9-27-30)20-19-5-6-25-31(19)13-18(28-20)14-8-26-29(10-14)12-17(32)7-21(22,23)24;1-4-17(5-2)27-12-16(10-24-27)21-20-7-8-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(29)6-3/h8-14,18,21,31H,6-7,15H2,1-5H3;7-13,15,18,21,30H,5-6,14H2,1-4H3;5-6,8-11,13,16-17,32H,3-4,7,12H2,1-2H3;7-12,14,17-18,29H,4-6,13H2,1-3H3/t;;;18-/m...0/s1
InChIKeyMZRVQFSVOJBDLR-LJSHLJHXSA-N
MW1670.03 g/mol
LogP15.78
Rot. Bonds31

About 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol

3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol (PubChem CID 159718220) has the molecular formula C87H111F3N28O4 and a molecular weight of 1670.03 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
PubChem CID159718220
Molecular FormulaC87H111F3N28O4
Molecular Weight1670.03 g/mol
Exact Mass1668.93
IUPAC Name3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)C(C)(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)C(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CC(F)(F)F)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CC)c3)cn3nccc23)cn1
InChIInChI=1S/C23H31N7O.C22H29N7O.C21H24F3N7O.C21H27N7O/c1-6-18(7-2)29-13-17(11-26-29)22-20-8-9-24-30(20)14-19(27-22)16-10-25-28(12-16)15-21(31)23(3,4)5;1-5-18(6-2)28-12-17(10-25-28)22-20-7-8-23-29(20)13-19(26-22)16-9-24-27(11-16)14-21(30)15(3)4;1-3-16(4-2)30-11-15(9-27-30)20-19-5-6-25-31(19)13-18(28-20)14-8-26-29(10-14)12-17(32)7-21(22,23)24;1-4-17(5-2)27-12-16(10-24-27)21-20-7-8-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(29)6-3/h8-14,18,21,31H,6-7,15H2,1-5H3;7-13,15,18,21,30H,5-6,14H2,1-4H3;5-6,8-11,13,16-17,32H,3-4,7,12H2,1-2H3;7-12,14,17-18,29H,4-6,13H2,1-3H3/t;;;18-/m...0/s1
InChIKeyMZRVQFSVOJBDLR-LJSHLJHXSA-N
XLogP15.78
TPSA344.24 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001670.03
LogP ≤ 515.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol with MolForge

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Related Compounds

US10189845, Example 198A
CID 121378296
US10189845, Example 194A
CID 121378403
US11028093, Example 194
CID 121390939
US10189845, Example 204A
CID 121390949
US10189845, Example 210B
CID 121391017
US10189845, Example 193
CID 121391030
US11028093, Example 198
CID 121391031
US10189845, Example 79
CID 121391049
US10189845, Example 111
CID 121391091
US10189845, Example 211A
CID 121391103
US10189845, Example 209A
CID 121391116
US10189845, Example 212B
CID 121391121

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol (CID 159718220) is 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol is CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)C(C)(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)C(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CC(F)(F)F)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CC)c3)cn3nccc23)cn1.
What is the InChIKey of 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
The InChIKey is MZRVQFSVOJBDLR-LJSHLJHXSA-N. The full InChI is InChI=1S/C23H31N7O.C22H29N7O.C21H24F3N7O.C21H27N7O/c1-6-18(7-2)29-13-17(11-26-29)22-20-8-9-24-30(20)14-19(27-22)16-10-25-28(12-16)15-21(31)23(3,4)5;1-5-18(6-2)28-12-17(10-25-28)22-20-7-8-23-29(20)13-19(26-22)16-9-24-27(11-16)14-21(30)15(3)4;1-3-16(4-2)30-11-15(9-27-30)20-19-5-6-25-31(19)13-18(28-20)14-8-26-29(10-14)12-17(32)7-21(22,23)24;1-4-17(5-2)27-12-16(10-24-27)21-20-7-8-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(29)6-3/h8-14,18,21,31H,6-7,15H2,1-5H3;7-13,15,18,21,30H,5-6,14H2,1-4H3;5-6,8-11,13,16-17,32H,3-4,7,12H2,1-2H3;7-12,14,17-18,29H,4-6,13H2,1-3H3/t;;;18-/m...0/s1.
What are the key properties of 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol has a molecular weight of 1670.03 g/mol, XLogP of 15.78, 31 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 159718220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).