N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C84H105Br3N24 — CID 123955280

IUPACN-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(Br)c(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC4CCCC4)c(Br)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCCCC4)c(Br)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCc4ccccc4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C23H26N6.C22H29BrN6.C21H27BrN6.C18H23BrN6/c1-28-16-19(14-25-28)20-15-26-29-22(24-13-17-8-4-2-5-9-17)12-21(27-23(20)29)18-10-6-3-7-11-18;1-28-14-16(12-24-28)18-13-25-29-21(18)27-20(15-8-4-2-5-9-15)19(23)22(29)26-17-10-6-3-7-11-17;1-27-13-15(11-23-27)17-12-24-28-20(17)26-19(14-7-3-2-4-8-14)18(22)21(28)25-16-9-5-6-10-16;1-3-20-18-15(19)16(12-7-5-4-6-8-12)23-17-14(10-22-25(17)18)13-9-21-24(2)11-13/h2,4-5,8-9,12,14-16,18,24H,3,6-7,10-11,13H2,1H3;12-15,17,26H,2-11H2,1H3;11-14,16,25H,2-10H2,1H3;9-12,20H,3-8H2,1-2H3
InChIKeyGXIDMXWTCYDKHX-UHFFFAOYSA-N
MW1690.64 g/mol
LogP20.14
Rot. Bonds17

About N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123955280) has the molecular formula C84H105Br3N24 and a molecular weight of 1690.64 g/mol. Its IUPAC name is N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID123955280
Molecular FormulaC84H105Br3N24
Molecular Weight1690.64 g/mol
Exact Mass1686.65
IUPAC NameN-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(Br)c(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC4CCCC4)c(Br)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCCCC4)c(Br)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCc4ccccc4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C23H26N6.C22H29BrN6.C21H27BrN6.C18H23BrN6/c1-28-16-19(14-25-28)20-15-26-29-22(24-13-17-8-4-2-5-9-17)12-21(27-23(20)29)18-10-6-3-7-11-18;1-28-14-16(12-24-28)18-13-25-29-21(18)27-20(15-8-4-2-5-9-15)19(23)22(29)26-17-10-6-3-7-11-17;1-27-13-15(11-23-27)17-12-24-28-20(17)26-19(14-7-3-2-4-8-14)18(22)21(28)25-16-9-5-6-10-16;1-3-20-18-15(19)16(12-7-5-4-6-8-12)23-17-14(10-22-25(17)18)13-9-21-24(2)11-13/h2,4-5,8-9,12,14-16,18,24H,3,6-7,10-11,13H2,1H3;12-15,17,26H,2-11H2,1H3;11-14,16,25H,2-10H2,1H3;9-12,20H,3-8H2,1-2H3
InChIKeyGXIDMXWTCYDKHX-UHFFFAOYSA-N
XLogP20.14
TPSA240.16 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001690.64
LogP ≤ 520.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[1-Bromo-3-[5-bromo-2-(cyclopentylamino)pyrimidin-4-yl]cyclopenta-2,4-dien-1-yl]-4-[1-bromo-3-[5-bromo-2-(cyclopentylamino)pyrimidin-4-yl]cyclopentyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 87955009
2-[[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 89783728
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 142869865
3-[4-[3-bromo-7-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluorophenyl]bromanuidyl-5-cyclohexyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 146838498
4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-6-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-ethylpyrazol-3-yl]-N-(4-fluoro-1-methylpyrazol-5-yl)-5-methylpyrimidin-2-amine
CID 155376550
4-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-(difluoromethyl)pyrazol-3-yl]-6-[(7R)-5-[(2,4-difluorophenyl)-difluoromethyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155376640
N-[(3,3-difluorocyclobutyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;4-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]cyclohexane-1,4-diamine;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 158315840
8-[2-(Difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 158323489
5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 159568630
3-bromo-5-(oxan-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159700391
3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
CID 160567802

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 123955280) is N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCNc1c(Br)c(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC4CCCC4)c(Br)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NC4CCCCC4)c(Br)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCc4ccccc4)cc(C4CCCCC4)nc23)cn1.
What is the InChIKey of N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GXIDMXWTCYDKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6.C22H29BrN6.C21H27BrN6.C18H23BrN6/c1-28-16-19(14-25-28)20-15-26-29-22(24-13-17-8-4-2-5-9-17)12-21(27-23(20)29)18-10-6-3-7-11-18;1-28-14-16(12-24-28)18-13-25-29-21(18)27-20(15-8-4-2-5-9-15)19(23)22(29)26-17-10-6-3-7-11-17;1-27-13-15(11-23-27)17-12-24-28-20(17)26-19(14-7-3-2-4-8-14)18(22)21(28)25-16-9-5-6-10-16;1-3-20-18-15(19)16(12-7-5-4-6-8-12)23-17-14(10-22-25(17)18)13-9-21-24(2)11-13/h2,4-5,8-9,12,14-16,18,24H,3,6-7,10-11,13H2,1H3;12-15,17,26H,2-11H2,1H3;11-14,16,25H,2-10H2,1H3;9-12,20H,3-8H2,1-2H3.
What are the key properties of N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1690.64 g/mol, XLogP of 20.14, 17 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123955280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).