N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine

C59H82F9N9O3 — CID 157186183

IUPACN-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(OCC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCC(C)C)c(C(F)(F)F)c1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C21H30F3N3O.C20H28F3N3O.C18H24F3N3O/c1-5-6-10-27(4)14-17-13-25-26-20(17)16-7-8-19(28-11-9-15(2)3)18(12-16)21(22,23)24;1-5-6-9-26(4)12-16-11-24-25-19(16)15-7-8-18(27-13-14(2)3)17(10-15)20(21,22)23;1-5-8-24(4)11-16-14(10-22-23-16)13-6-7-17(25-12(2)3)15(9-13)18(19,20)21/h7-8,12-13,15H,5-6,9-11,14H2,1-4H3,(H,25,26);7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H,24,25);6-7,9-10,12H,5,8,11H2,1-4H3,(H,22,23)
InChIKeyAPDKKGXSZOCQPH-UHFFFAOYSA-N
MW1136.35 g/mol
LogP15.84
Rot. Bonds26

About N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine

N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine (PubChem CID 157186183) has the molecular formula C59H82F9N9O3 and a molecular weight of 1136.35 g/mol. Its IUPAC name is N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
PubChem CID157186183
Molecular FormulaC59H82F9N9O3
Molecular Weight1136.35 g/mol
Exact Mass1135.64
IUPAC NameN-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(OCC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCC(C)C)c(C(F)(F)F)c1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C21H30F3N3O.C20H28F3N3O.C18H24F3N3O/c1-5-6-10-27(4)14-17-13-25-26-20(17)16-7-8-19(28-11-9-15(2)3)18(12-16)21(22,23)24;1-5-6-9-26(4)12-16-11-24-25-19(16)15-7-8-18(27-13-14(2)3)17(10-15)20(21,22)23;1-5-8-24(4)11-16-14(10-22-23-16)13-6-7-17(25-12(2)3)15(9-13)18(19,20)21/h7-8,12-13,15H,5-6,9-11,14H2,1-4H3,(H,25,26);7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H,24,25);6-7,9-10,12H,5,8,11H2,1-4H3,(H,22,23)
InChIKeyAPDKKGXSZOCQPH-UHFFFAOYSA-N
XLogP15.84
TPSA123.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.35
LogP ≤ 515.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 110261387
1-ethyl-3-methyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 110261455
N'-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 85472766
N,N'-dimethyl-N'-[[5-[2-methyl-4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 85472770
N'-[[5-[2-fluoro-4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472892
N'-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472895
N'-[[4-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85473021
N'-[[4-[5-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85473142
N'-methyl-N'-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
CID 85473143
N,N'-dimethyl-N'-[[4-[2-(2-methylpropyl)-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
CID 85473145
N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85473272
N'-[[5-[2-(2-methoxyethoxy)-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 85473407

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine (CID 157186183) is N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(OCC(C)C)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCC(C)C)c(C(F)(F)F)c1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(C)C)c(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
The InChIKey is APDKKGXSZOCQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O.C20H28F3N3O.C18H24F3N3O/c1-5-6-10-27(4)14-17-13-25-26-20(17)16-7-8-19(28-11-9-15(2)3)18(12-16)21(22,23)24;1-5-6-9-26(4)12-16-11-24-25-19(16)15-7-8-18(27-13-14(2)3)17(10-15)20(21,22)23;1-5-8-24(4)11-16-14(10-22-23-16)13-6-7-17(25-12(2)3)15(9-13)18(19,20)21/h7-8,12-13,15H,5-6,9-11,14H2,1-4H3,(H,25,26);7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H,24,25);6-7,9-10,12H,5,8,11H2,1-4H3,(H,22,23).
What are the key properties of N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine?
N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine has a molecular weight of 1136.35 g/mol, XLogP of 15.84, 26 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 157186183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).