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

C84H130F7N15O3 — CID 160968826

IUPAC4-[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
SMILESC.C.C.C.CCCCN(C)Cc1ccnn1C1CCC2(CCOC2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)c2cccnc2)cc1.CNCCN(C)Cc1cn[nH]c1-c1cc(F)c(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C22H29N5.C20H26F4N4O2.C20H28F3N3.C18H31N3O.4CH4/c1-4-5-13-27(3)16-20-15-24-26-22(20)18-8-10-21(11-9-18)25-17(2)19-7-6-12-23-14-19;1-25-5-6-28(2)12-14-11-26-27-18(14)13-9-16(20(22,23)24)19(17(21)10-13)30-15-3-7-29-8-4-15;1-5-6-9-26(4)13-17-12-24-25-19(17)16-8-7-15(10-14(2)3)18(11-16)20(21,22)23;1-3-4-12-20(2)14-17-7-11-19-21(17)16-5-8-18(9-6-16)10-13-22-15-18;;;;/h6-12,14-15,17,25H,4-5,13,16H2,1-3H3,(H,24,26);9-11,15,25H,3-8,12H2,1-2H3,(H,26,27);7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,24,25);7,11,16H,3-6,8-10,12-15H2,1-2H3;4*1H4
InChIKeySXZJSNODFFLMLN-UHFFFAOYSA-N
MW1531.05 g/mol
LogP20.03
Rot. Bonds31

About 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

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 (PubChem CID 160968826) has the molecular formula C84H130F7N15O3 and a molecular weight of 1531.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160968826
Molecular FormulaC84H130F7N15O3
Molecular Weight1531.05 g/mol
Exact Mass1530.04
IUPAC Name4-[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
SMILESC.C.C.C.CCCCN(C)Cc1ccnn1C1CCC2(CCOC2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)c2cccnc2)cc1.CNCCN(C)Cc1cn[nH]c1-c1cc(F)c(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C22H29N5.C20H26F4N4O2.C20H28F3N3.C18H31N3O.4CH4/c1-4-5-13-27(3)16-20-15-24-26-22(20)18-8-10-21(11-9-18)25-17(2)19-7-6-12-23-14-19;1-25-5-6-28(2)12-14-11-26-27-18(14)13-9-16(20(22,23)24)19(17(21)10-13)30-15-3-7-29-8-4-15;1-5-6-9-26(4)13-17-12-24-25-19(17)16-8-7-15(10-14(2)3)18(11-16)20(21,22)23;1-3-4-12-20(2)14-17-7-11-19-21(17)16-5-8-18(9-6-16)10-13-22-15-18;;;;/h6-12,14-15,17,25H,4-5,13,16H2,1-3H3,(H,24,26);9-11,15,25H,3-8,12H2,1-2H3,(H,26,27);7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,24,25);7,11,16H,3-6,8-10,12-15H2,1-2H3;4*1H4
InChIKeySXZJSNODFFLMLN-UHFFFAOYSA-N
XLogP20.03
TPSA181.46 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.05
LogP ≤ 520.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)aniline;N-[[5-[3-(1,1-difluoroethyl)-5-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-ethoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 159660087
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
N-[[4-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-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;N-methyl-N-[[4-[2-methyl-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[5-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 161814120
6-(3-butoxyphenyl)-3-methyl-2H-indazole;5-(4-tert-butylphenyl)-1H-indol-3-amine;2-(3-methyl-2H-indazol-6-yl)phenol;[2-(3-methyl-2H-indazol-5-yl)phenyl]methanol;3-methyl-6-(2-phenoxyphenyl)-2H-indazole;5-[4-(2-methylpropyl)phenyl]-1H-indol-3-amine;3-methyl-6-[3-(trifluoromethyl)phenyl]-2H-indazole;3-methyl-6-[4-(trifluoromethyl)phenyl]-2H-indazole;5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-amine;5-[4-(trifluoromethyl)phenyl]-1H-indol-3-amine
CID 161824242
5-[1-[1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[(3R)-1-[(4-methoxy-2-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 157862990
5-[1-[1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]pyrazol-4-yl]-3-phenyl-1H-indazole;5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 158598831

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.CCCCN(C)Cc1ccnn1C1CCC2(CCOC2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)c2cccnc2)cc1.CNCCN(C)Cc1cn[nH]c1-c1cc(F)c(OC2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is SXZJSNODFFLMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5.C20H26F4N4O2.C20H28F3N3.C18H31N3O.4CH4/c1-4-5-13-27(3)16-20-15-24-26-22(20)18-8-10-21(11-9-18)25-17(2)19-7-6-12-23-14-19;1-25-5-6-28(2)12-14-11-26-27-18(14)13-9-16(20(22,23)24)19(17(21)10-13)30-15-3-7-29-8-4-15;1-5-6-9-26(4)13-17-12-24-25-19(17)16-8-7-15(10-14(2)3)18(11-16)20(21,22)23;1-3-4-12-20(2)14-17-7-11-19-21(17)16-5-8-18(9-6-16)10-13-22-15-18;;;;/h6-12,14-15,17,25H,4-5,13,16H2,1-3H3,(H,24,26);9-11,15,25H,3-8,12H2,1-2H3,(H,26,27);7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,24,25);7,11,16H,3-6,8-10,12-15H2,1-2H3;4*1H4.
What are the key properties of 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?
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 has a molecular weight of 1531.05 g/mol, XLogP of 20.03, 31 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160968826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).