4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C75H107F3N10O6 — CID 157125829

IUPAC4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C=C(C)COc1c(C)cc(-c2[nH]ncc2CN(C)CCCC)cc1C(F)(F)F.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CCOc2ccc(OC)cc2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C27H37N3O3.C25H34N4O2.C21H28F3N3O.2CH4/c1-5-6-15-30(4)19-23-18-28-29-27(23)22-7-9-24(10-8-22)31-16-17-32-25-11-13-26(14-12-25)33-20-21(2)3;1-5-6-15-28(2)19-21-18-26-27-25(21)20-7-9-22(10-8-20)29(3)16-17-31-24-13-11-23(30-4)12-14-24;1-6-7-8-27(5)12-17-11-25-26-19(17)16-9-15(4)20(28-13-14(2)3)18(10-16)21(22,23)24;;/h7-14,18,21H,5-6,15-17,19-20H2,1-4H3,(H,28,29);7-14,18H,5-6,15-17,19H2,1-4H3,(H,26,27);9-11H,2,6-8,12-13H2,1,3-5H3,(H,25,26);2*1H4
InChIKeyAIMNIDNIPQQHIZ-UHFFFAOYSA-N
MW1301.74 g/mol
LogP17.50
Rot. Bonds35

About 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 157125829) has the molecular formula C75H107F3N10O6 and a molecular weight of 1301.74 g/mol. Its IUPAC name is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID157125829
Molecular FormulaC75H107F3N10O6
Molecular Weight1301.74 g/mol
Exact Mass1300.83
IUPAC Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C=C(C)COc1c(C)cc(-c2[nH]ncc2CN(C)CCCC)cc1C(F)(F)F.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CCOc2ccc(OC)cc2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C27H37N3O3.C25H34N4O2.C21H28F3N3O.2CH4/c1-5-6-15-30(4)19-23-18-28-29-27(23)22-7-9-24(10-8-22)31-16-17-32-25-11-13-26(14-12-25)33-20-21(2)3;1-5-6-15-28(2)19-21-18-26-27-25(21)20-7-9-22(10-8-20)29(3)16-17-31-24-13-11-23(30-4)12-14-24;1-6-7-8-27(5)12-17-11-25-26-19(17)16-9-15(4)20(28-13-14(2)3)18(10-16)21(22,23)24;;/h7-14,18,21H,5-6,15-17,19-20H2,1-4H3,(H,28,29);7-14,18H,5-6,15-17,19H2,1-4H3,(H,26,27);9-11H,2,6-8,12-13H2,1,3-5H3,(H,25,26);2*1H4
InChIKeyAIMNIDNIPQQHIZ-UHFFFAOYSA-N
XLogP17.50
TPSA154.38 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.74
LogP ≤ 517.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 157125829) is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C=C(C)COc1c(C)cc(-c2[nH]ncc2CN(C)CCCC)cc1C(F)(F)F.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CCOc2ccc(OC)cc2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is AIMNIDNIPQQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3.C25H34N4O2.C21H28F3N3O.2CH4/c1-5-6-15-30(4)19-23-18-28-29-27(23)22-7-9-24(10-8-22)31-16-17-32-25-11-13-26(14-12-25)33-20-21(2)3;1-5-6-15-28(2)19-21-18-26-27-25(21)20-7-9-22(10-8-20)29(3)16-17-31-24-13-11-23(30-4)12-14-24;1-6-7-8-27(5)12-17-11-25-26-19(17)16-9-15(4)20(28-13-14(2)3)18(10-16)21(22,23)24;;/h7-14,18,21H,5-6,15-17,19-20H2,1-4H3,(H,28,29);7-14,18H,5-6,15-17,19H2,1-4H3,(H,26,27);9-11H,2,6-8,12-13H2,1,3-5H3,(H,25,26);2*1H4.
What are the key properties of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1301.74 g/mol, XLogP of 17.50, 35 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylaniline;methane;N-methyl-N-[[5-[3-methyl-4-(2-methylprop-2-enoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-[2-[4-(2-methylpropoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 157125829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).