N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

C100H138N32O2 — CID 123452156

IUPACN-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCC(C)Nc1cc(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC(C)(C)C)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCNCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCCN4CCOCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCCO)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H31N7O.C21H29N7.C20H28N6.C19H26N6.C18H24N6O/c1-27-16-18(14-24-27)19-15-25-29-21(23-7-8-28-9-11-30-12-10-28)13-20(26-22(19)29)17-5-3-2-4-6-17;1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-9-22-10-8-17)11-19(26-21(18)28)15-5-3-2-4-6-15;1-20(2,3)24-18-10-17(14-8-6-5-7-9-14)23-19-16(12-22-26(18)19)15-11-21-25(4)13-15;1-13(2)22-18-9-17(14-7-5-4-6-8-14)23-19-16(11-21-25(18)19)15-10-20-24(3)12-15;1-23-12-14(10-20-23)15-11-21-24-17(19-7-8-25)9-16(22-18(15)24)13-5-3-2-4-6-13/h13-17,23H,2-12H2,1H3;11-15,17,22,25H,2-10H2,1H3;10-14,24H,5-9H2,1-4H3;9-14,22H,4-8H2,1-3H3;9-13,19,25H,2-8H2,1H3
InChIKeyXKFUYNXOBHDMPZ-UHFFFAOYSA-N
MW1820.43 g/mol
LogP17.23
Rot. Bonds22

About N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (PubChem CID 123452156) has the molecular formula C100H138N32O2 and a molecular weight of 1820.43 g/mol. Its IUPAC name is N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound NameN-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
PubChem CID123452156
Molecular FormulaC100H138N32O2
Molecular Weight1820.43 g/mol
Exact Mass1819.17
IUPAC NameN-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCC(C)Nc1cc(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC(C)(C)C)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCNCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCCN4CCOCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCCO)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H31N7O.C21H29N7.C20H28N6.C19H26N6.C18H24N6O/c1-27-16-18(14-24-27)19-15-25-29-21(23-7-8-28-9-11-30-12-10-28)13-20(26-22(19)29)17-5-3-2-4-6-17;1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-9-22-10-8-17)11-19(26-21(18)28)15-5-3-2-4-6-15;1-20(2,3)24-18-10-17(14-8-6-5-7-9-14)23-19-16(12-22-26(18)19)15-11-21-25(4)13-15;1-13(2)22-18-9-17(14-7-5-4-6-8-14)23-19-16(11-21-25(18)19)15-10-20-24(3)12-15;1-23-12-14(10-20-23)15-11-21-24-17(19-7-8-25)9-16(22-18(15)24)13-5-3-2-4-6-13/h13-17,23H,2-12H2,1H3;11-15,17,22,25H,2-10H2,1H3;10-14,24H,5-9H2,1-4H3;9-14,22H,4-8H2,1-3H3;9-13,19,25H,2-8H2,1H3
InChIKeyXKFUYNXOBHDMPZ-UHFFFAOYSA-N
XLogP17.23
TPSA344.93 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001820.43
LogP ≤ 517.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (CID 123452156) is N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is CC(C)Nc1cc(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC(C)(C)C)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCNCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCCN4CCOCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCCO)cc(C4CCCCC4)nc23)cn1.
What is the InChIKey of N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The InChIKey is XKFUYNXOBHDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O.C21H29N7.C20H28N6.C19H26N6.C18H24N6O/c1-27-16-18(14-24-27)19-15-25-29-21(23-7-8-28-9-11-30-12-10-28)13-20(26-22(19)29)17-5-3-2-4-6-17;1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-9-22-10-8-17)11-19(26-21(18)28)15-5-3-2-4-6-15;1-20(2,3)24-18-10-17(14-8-6-5-7-9-14)23-19-16(12-22-26(18)19)15-11-21-25(4)13-15;1-13(2)22-18-9-17(14-7-5-4-6-8-14)23-19-16(11-21-25(18)19)15-10-20-24(3)12-15;1-23-12-14(10-20-23)15-11-21-24-17(19-7-8-25)9-16(22-18(15)24)13-5-3-2-4-6-13/h13-17,23H,2-12H2,1H3;11-15,17,22,25H,2-10H2,1H3;10-14,24H,5-9H2,1-4H3;9-14,22H,4-8H2,1-3H3;9-13,19,25H,2-8H2,1H3.
What are the key properties of N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol has a molecular weight of 1820.43 g/mol, XLogP of 17.23, 22 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 123452156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).