3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C69H104F3N11O4 — CID 157177571

IUPAC3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C=C1CCCN1c1ccc(-c2[nH]ncc2CN(C)CCCC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(C(=O)NCCOC)cc(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC(OCCC3CCCCC3)C2)cc1
InChIInChI=1S/C27H41N3O2.C20H27F3N4O2.C20H28N4.2CH4/c1-3-4-15-30(2)20-23-19-28-29-27(23)22-10-12-24(13-11-22)32-26-17-25(18-26)31-16-14-21-8-6-5-7-9-21;1-4-5-7-27(2)13-16-12-25-26-18(16)14-9-15(19(28)24-6-8-29-3)11-17(10-14)20(21,22)23;1-4-5-12-23(3)15-18-14-21-22-20(18)17-8-10-19(11-9-17)24-13-6-7-16(24)2;;/h10-13,19,21,25-26H,3-9,14-18,20H2,1-2H3,(H,28,29);9-12H,4-8,13H2,1-3H3,(H,24,28)(H,25,26);8-11,14H,2,4-7,12-13,15H2,1,3H3,(H,21,22);2*1H4
InChIKeyAOEPYZAYCZHHEM-UHFFFAOYSA-N
MW1208.66 g/mol
LogP15.60
Rot. Bonds29

About 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 157177571) has the molecular formula C69H104F3N11O4 and a molecular weight of 1208.66 g/mol. Its IUPAC name is 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID157177571
Molecular FormulaC69H104F3N11O4
Molecular Weight1208.66 g/mol
Exact Mass1207.82
IUPAC Name3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C=C1CCCN1c1ccc(-c2[nH]ncc2CN(C)CCCC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(C(=O)NCCOC)cc(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC(OCCC3CCCCC3)C2)cc1
InChIInChI=1S/C27H41N3O2.C20H27F3N4O2.C20H28N4.2CH4/c1-3-4-15-30(2)20-23-19-28-29-27(23)22-10-12-24(13-11-22)32-26-17-25(18-26)31-16-14-21-8-6-5-7-9-21;1-4-5-7-27(2)13-16-12-25-26-18(16)14-9-15(19(28)24-6-8-29-3)11-17(10-14)20(21,22)23;1-4-5-12-23(3)15-18-14-21-22-20(18)17-8-10-19(11-9-17)24-13-6-7-16(24)2;;/h10-13,19,21,25-26H,3-9,14-18,20H2,1-2H3,(H,28,29);9-12H,4-8,13H2,1-3H3,(H,24,28)(H,25,26);8-11,14H,2,4-7,12-13,15H2,1,3H3,(H,21,22);2*1H4
InChIKeyAOEPYZAYCZHHEM-UHFFFAOYSA-N
XLogP15.60
TPSA155.79 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001208.66
LogP ≤ 515.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Related Compounds

4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-[[6-[4-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-2-(1H-pyrazol-5-yl)phenyl]-2,6-diazaspiro[3.4]octan-8-yl]methyl]-1H-pyrazol-3-yl]benzamide
CID 134511618
N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 160827002
3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)aniline;N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 160914279
3-[4-[[2-aminoethyl(methyl)amino]methyl]-1-[2-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,6-dimethylphenoxy]propyl]pyrazol-3-yl]-N-ethyl-N-methylbenzamide
CID 123410888
N-methyl-2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[4-[5-methyl-3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2-[3-[4-[1-methyl-5-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyrazol-4-yl]phenoxy]propoxymethyl]-1H-pyrazol-2-ium-4-yl]phenoxy]propyl]pyrazol-3-yl]phenoxy]benzamide
CID 123879810
3-[4-[[2-aminoethyl(methyl)amino]methyl]-5-[2-[[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1-[1-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1-[3-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]pyrazol-3-yl]-2,6-dimethylphenoxy]ethyl]pyrazol-3-yl]benzoyl]-methylamino]ethyl]-1H-pyrazol-3-yl]-N-ethylbenzamide
CID 131966235
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[2-(4-fluorophenyl)ethynyl]-N-[(E)-3-(1H-pyrazol-4-yl)prop-2-enyl]benzamide;4-(3,3-dimethylpiperidin-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-[1-[3-[2-(4-methoxyphenyl)ethynyl]-4-morpholin-4-ylphenyl]ethenyl]-3-(1H-pyrazol-4-yl)propan-1-amine;3-[2-(4-methylphenyl)ethynyl]-N-[(E)-3-(1H-pyrazol-4-yl)prop-2-enyl]-4-pyrrolidin-1-ylbenzamide
CID 157089443
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 158414939
N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol
CID 158667566
N,N-dimethyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide;N-[[5-(3-fluoro-4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-(4-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide
CID 158851467
3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-(3-propan-2-yl-5-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 161894484

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 157177571) is 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C=C1CCCN1c1ccc(-c2[nH]ncc2CN(C)CCCC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(C(=O)NCCOC)cc(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC(OCCC3CCCCC3)C2)cc1.
What is the InChIKey of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is AOEPYZAYCZHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O2.C20H27F3N4O2.C20H28N4.2CH4/c1-3-4-15-30(2)20-23-19-28-29-27(23)22-10-12-24(13-11-22)32-26-17-25(18-26)31-16-14-21-8-6-5-7-9-21;1-4-5-7-27(2)13-16-12-25-26-18(16)14-9-15(19(28)24-6-8-29-3)11-17(10-14)20(21,22)23;1-4-5-12-23(3)15-18-14-21-22-20(18)17-8-10-19(11-9-17)24-13-6-7-16(24)2;;/h10-13,19,21,25-26H,3-9,14-18,20H2,1-2H3,(H,28,29);9-12H,4-8,13H2,1-3H3,(H,24,28)(H,25,26);8-11,14H,2,4-7,12-13,15H2,1,3H3,(H,21,22);2*1H4.
What are the key properties of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1208.66 g/mol, XLogP of 15.60, 29 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 157177571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).