N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C116H163F16N17O4 — CID 159159893

IUPACN-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C.C.C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(CC(C)C)cc1OC.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Cc2ccccc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Cc2cccnc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCC2)c1C.CNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCOCC2)c1F
InChIInChI=1S/C24H28F3N3.C23H27F3N4.C22H30F3N3O.C21H28F4N4O2.C21H30F3N3O.5CH4/c1-4-5-11-30(3)16-20-15-28-29-23(20)22-14-21(24(25,26)27)13-19(17(22)2)12-18-9-7-6-8-10-18;1-4-5-9-30(3)15-19-14-28-29-22(19)21-12-20(23(24,25)26)11-18(16(21)2)10-17-7-6-8-27-13-17;1-4-5-9-28(3)13-17-12-26-27-21(17)19-10-18(22(23,24)25)11-20(15(19)2)29-14-16-7-6-8-16;1-26-5-6-29(2)12-15-11-27-28-20(15)17-9-16(21(23,24)25)10-18(19(17)22)31-13-14-3-7-30-8-4-14;1-6-7-8-27(4)13-16-12-25-26-20(16)17-11-18(21(22,23)24)15(9-14(2)3)10-19(17)28-5;;;;;/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,28,29);6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,28,29);10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);9-11,14,26H,3-8,12-13H2,1-2H3,(H,27,28);10-12,14H,6-9,13H2,1-5H3,(H,25,26);5*1H4
InChIKeyKKIXLVKHQQXFKV-UHFFFAOYSA-N
MW2163.66 g/mol
LogP30.07
Rot. Bonds43

About N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 159159893) has the molecular formula C116H163F16N17O4 and a molecular weight of 2163.66 g/mol. Its IUPAC name is N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID159159893
Molecular FormulaC116H163F16N17O4
Molecular Weight2163.66 g/mol
Exact Mass2162.28
IUPAC NameN-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C.C.C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(CC(C)C)cc1OC.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Cc2ccccc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Cc2cccnc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCC2)c1C.CNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCOCC2)c1F
InChIInChI=1S/C24H28F3N3.C23H27F3N4.C22H30F3N3O.C21H28F4N4O2.C21H30F3N3O.5CH4/c1-4-5-11-30(3)16-20-15-28-29-23(20)22-14-21(24(25,26)27)13-19(17(22)2)12-18-9-7-6-8-10-18;1-4-5-9-30(3)15-19-14-28-29-22(19)21-12-20(23(24,25)26)11-18(16(21)2)10-17-7-6-8-27-13-17;1-4-5-9-28(3)13-17-12-26-27-21(17)19-10-18(22(23,24)25)11-20(15(19)2)29-14-16-7-6-8-16;1-26-5-6-29(2)12-15-11-27-28-20(15)17-9-16(21(23,24)25)10-18(19(17)22)31-13-14-3-7-30-8-4-14;1-6-7-8-27(4)13-16-12-25-26-20(16)17-11-18(21(22,23)24)15(9-14(2)3)10-19(17)28-5;;;;;/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,28,29);6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,28,29);10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);9-11,14,26H,3-8,12-13H2,1-2H3,(H,27,28);10-12,14H,6-9,13H2,1-5H3,(H,25,26);5*1H4
InChIKeyKKIXLVKHQQXFKV-UHFFFAOYSA-N
XLogP30.07
TPSA221.44 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002163.66
LogP ≤ 530.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N'-[[3-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-[2-methyl-4-[4-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-methyl-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)phenoxy]propyl]pyrazol-4-yl]-2-(trifluoromethyl)phenoxy]butyl]pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 123241962
N,N'-dimethyl-N'-[[1-[4-[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)phenoxy]cyclohexyl]-3-[3-pyridin-4-yloxy-5-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 123242099
2-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-3-fluoro-4-(3-methoxypropoxy)-6-(trifluoromethyl)benzonitrile;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;methane;N-methyl-N-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 157319567
N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 158125297
N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158905003
N-[[5-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-[4-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[4-[2-methyl-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 159024865
N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 159147070
N-[[5-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[2-methyl-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 159616722
N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 160612198
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-3-ylethyl)aniline;N'-[[5-[3-fluoro-4-(oxan-4-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(2-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine
CID 160968826
N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 161267023
N-[[4-[2,3-dimethyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 161461915

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 159159893) is N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C.C.C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(CC(C)C)cc1OC.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Cc2ccccc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Cc2cccnc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCC2)c1C.CNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCOCC2)c1F.
What is the InChIKey of N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is KKIXLVKHQQXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3.C23H27F3N4.C22H30F3N3O.C21H28F4N4O2.C21H30F3N3O.5CH4/c1-4-5-11-30(3)16-20-15-28-29-23(20)22-14-21(24(25,26)27)13-19(17(22)2)12-18-9-7-6-8-10-18;1-4-5-9-30(3)15-19-14-28-29-22(19)21-12-20(23(24,25)26)11-18(16(21)2)10-17-7-6-8-27-13-17;1-4-5-9-28(3)13-17-12-26-27-21(17)19-10-18(22(23,24)25)11-20(15(19)2)29-14-16-7-6-8-16;1-26-5-6-29(2)12-15-11-27-28-20(15)17-9-16(21(23,24)25)10-18(19(17)22)31-13-14-3-7-30-8-4-14;1-6-7-8-27(4)13-16-12-25-26-20(16)17-11-18(21(22,23)24)15(9-14(2)3)10-19(17)28-5;;;;;/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,28,29);6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,28,29);10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);9-11,14,26H,3-8,12-13H2,1-2H3,(H,27,28);10-12,14H,6-9,13H2,1-5H3,(H,25,26);5*1H4.
What are the key properties of N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 2163.66 g/mol, XLogP of 30.07, 43 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-benzyl-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 159159893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).