3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol

C56H63ClN12O4S — CID 158876923

IUPAC3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
SMILESCc1cccc(-c2cnn3ccc(NC4CCC(CO)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NCC4CCS(=O)(=O)CC4)nc23)c1.Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C20H24N4O.C19H22N4O2S.C17H17ClN4O/c1-14-3-2-4-16(11-14)18-12-21-24-10-9-19(23-20(18)24)22-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)17-13-21-23-8-5-18(22-19(17)23)20-12-15-6-9-26(24,25)10-7-15;18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,20,22);1-4,7,10-11,14H,5-6,8-9H2,(H,20,21)
InChIKeyJCOAGKLPUOSCMU-UHFFFAOYSA-N
MW1035.72 g/mol
LogP10.25
Rot. Bonds11

About 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol

3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol (PubChem CID 158876923) has the molecular formula C56H63ClN12O4S and a molecular weight of 1035.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
PubChem CID158876923
Molecular FormulaC56H63ClN12O4S
Molecular Weight1035.72 g/mol
Exact Mass1034.45
IUPAC Name3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
SMILESCc1cccc(-c2cnn3ccc(NC4CCC(CO)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NCC4CCS(=O)(=O)CC4)nc23)c1.Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C20H24N4O.C19H22N4O2S.C17H17ClN4O/c1-14-3-2-4-16(11-14)18-12-21-24-10-9-19(23-20(18)24)22-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)17-13-21-23-8-5-18(22-19(17)23)20-12-15-6-9-26(24,25)10-7-15;18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,20,22);1-4,7,10-11,14H,5-6,8-9H2,(H,20,21)
InChIKeyJCOAGKLPUOSCMU-UHFFFAOYSA-N
XLogP10.25
TPSA190.26 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.72
LogP ≤ 510.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

2-[4-[[3-[3-[3-[4-[5-[[3-(3-Chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]-2-methoxycyclohexyl]-3-(trifluoromethyl)phenyl]-6-[(1,1-dioxothian-4-yl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-4-ium-1-yl]-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol
CID 123880547
2-[4-[[3-[3-[3-[4-[3-(3-Chlorophenyl)-6-[(4-methoxycyclohexyl)amino]-[1,2,4]triazolo[4,3-a]pyridin-1-ium-1-yl]-3-(trifluoromethyl)phenyl]-6-[(1,1-dioxothian-4-yl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-1-ium-1-yl]-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol
CID 123964470
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 157643216
4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide
CID 159286291
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
CID 160956006
3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;methane;1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 157499046
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;bis(1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 158037504
3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
CID 158636726
bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 159482929
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 159655505
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;bis(2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol)
CID 160355112
3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);methane;1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 161301936

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol?
The IUPAC name of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol (CID 158876923) is 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol?
The canonical SMILES for 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol is Cc1cccc(-c2cnn3ccc(NC4CCC(CO)CC4)nc23)c1.Cc1cccc(-c2cnn3ccc(NCC4CCS(=O)(=O)CC4)nc23)c1.Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol?
The InChIKey is JCOAGKLPUOSCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C19H22N4O2S.C17H17ClN4O/c1-14-3-2-4-16(11-14)18-12-21-24-10-9-19(23-20(18)24)22-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)17-13-21-23-8-5-18(22-19(17)23)20-12-15-6-9-26(24,25)10-7-15;18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,20,22);1-4,7,10-11,14H,5-6,8-9H2,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol?
3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol has a molecular weight of 1035.72 g/mol, XLogP of 10.25, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 158876923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).