2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane

C58H63Cl3F9N13O5 — CID 159092186

IUPAC2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane
SMILESC.CC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.FC(F)(F)Oc1cccc(-c2cnn3c(Cl)cc(Cl)nc23)c1.Nc1cc(Cl)nc2c(-c3cccc(OC(F)(F)F)c3)cnn12
InChIInChI=1S/C22H26F3N5O2.C13H6Cl2F3N3O.C13H8ClF3N4O.C9H19NO.CH4/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25;14-10-5-11(15)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(16,17)18;14-10-5-11(18)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7;/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29);1-6H;1-6H,18H2;7-8,11H,3-6,10H2,1-2H3;1H4
InChIKeyKCEYYVXKYHWEIB-UHFFFAOYSA-N
MW1299.57 g/mol
LogP14.66
Rot. Bonds10

About 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane

2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane (PubChem CID 159092186) has the molecular formula C58H63Cl3F9N13O5 and a molecular weight of 1299.57 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane
PubChem CID159092186
Molecular FormulaC58H63Cl3F9N13O5
Molecular Weight1299.57 g/mol
Exact Mass1297.40
IUPAC Name2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane
SMILESC.CC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.FC(F)(F)Oc1cccc(-c2cnn3c(Cl)cc(Cl)nc23)c1.Nc1cc(Cl)nc2c(-c3cccc(OC(F)(F)F)c3)cnn12
InChIInChI=1S/C22H26F3N5O2.C13H6Cl2F3N3O.C13H8ClF3N4O.C9H19NO.CH4/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25;14-10-5-11(15)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(16,17)18;14-10-5-11(18)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7;/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29);1-6H;1-6H,18H2;7-8,11H,3-6,10H2,1-2H3;1H4
InChIKeyKCEYYVXKYHWEIB-UHFFFAOYSA-N
XLogP14.66
TPSA248.81 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001299.57
LogP ≤ 514.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane with MolForge

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Related Compounds

2-[4-[[3-[3-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 66597948
2-[4-[[7-Amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 71235314
4-[[1-[4-[5-[(4-Aminocyclohexyl)amino]-1-[4-[5-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-yl]-2-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-5-yl]amino]cyclohexan-1-ol
CID 123392035
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;4-N-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 157587097
4-Amino-2-methylbutan-2-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-2-ol
CID 157632806
4-Amino-2-methylbutan-2-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;2-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-2-ol
CID 157690880
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 158652590
4-Chloro-3-[2-(4-phenoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol;4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 159452227
4-Amino-2-methylbutan-2-ol;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;methane;2-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-2-ol
CID 160032116
6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;cyclohexane-1,4-diamine;methane;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 160091085

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane?
The IUPAC name of 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane (CID 159092186) is 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane.
What is the SMILES notation for 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane?
The canonical SMILES for 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane is C.CC(C)(O)C1CCC(N)CC1.CC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.FC(F)(F)Oc1cccc(-c2cnn3c(Cl)cc(Cl)nc23)c1.Nc1cc(Cl)nc2c(-c3cccc(OC(F)(F)F)c3)cnn12.
What is the InChIKey of 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane?
The InChIKey is KCEYYVXKYHWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2.C13H6Cl2F3N3O.C13H8ClF3N4O.C9H19NO.CH4/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25;14-10-5-11(15)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(16,17)18;14-10-5-11(18)21-12(20-10)9(6-19-21)7-2-1-3-8(4-7)22-13(15,16)17;1-9(2,11)7-3-5-8(10)6-4-7;/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29);1-6H;1-6H,18H2;7-8,11H,3-6,10H2,1-2H3;1H4.
What are the key properties of 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane?
2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane has a molecular weight of 1299.57 g/mol, XLogP of 14.66, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)propan-2-ol;2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;5-chloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;methane is sourced from PubChem (CID 159092186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).