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

C85H98F2N14O6 — CID 158851467

IUPACN,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
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccc(F)cc2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C23H28N4O2.C22H26N4O2.2C20H22FN3O/c1-5-13-27(4)16-18-15-24-25-22(18)17-11-12-21(20(14-17)23(28)26(2)3)29-19-9-7-6-8-10-19;1-4-12-26(3)15-17-14-24-25-21(17)16-10-11-20(19(13-16)22(27)23-2)28-18-8-6-5-7-9-18;1-3-12-24(2)14-16-13-22-23-20(16)15-4-8-18(9-5-15)25-19-10-6-17(21)7-11-19;1-3-11-24(2)14-16-13-22-23-20(16)15-9-10-19(18(21)12-15)25-17-7-5-4-6-8-17/h6-12,14-15H,5,13,16H2,1-4H3,(H,24,25);5-11,13-14H,4,12,15H2,1-3H3,(H,23,27)(H,24,25);4-11,13H,3,12,14H2,1-2H3,(H,22,23);4-10,12-13H,3,11,14H2,1-2H3,(H,22,23)
InChIKeyIZMRBKMASJQJSV-UHFFFAOYSA-N
MW1449.81 g/mol
LogP18.18
Rot. Bonds30

About 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

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 (PubChem CID 158851467) has the molecular formula C85H98F2N14O6 and a molecular weight of 1449.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID158851467
Molecular FormulaC85H98F2N14O6
Molecular Weight1449.81 g/mol
Exact Mass1448.78
IUPAC NameN,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
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccc(F)cc2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C23H28N4O2.C22H26N4O2.2C20H22FN3O/c1-5-13-27(4)16-18-15-24-25-22(18)17-11-12-21(20(14-17)23(28)26(2)3)29-19-9-7-6-8-10-19;1-4-12-26(3)15-17-14-24-25-21(17)16-10-11-20(19(13-16)22(27)23-2)28-18-8-6-5-7-9-18;1-3-12-24(2)14-16-13-22-23-20(16)15-4-8-18(9-5-15)25-19-10-6-17(21)7-11-19;1-3-11-24(2)14-16-13-22-23-20(16)15-9-10-19(18(21)12-15)25-17-7-5-4-6-8-17/h6-12,14-15H,5,13,16H2,1-4H3,(H,24,25);5-11,13-14H,4,12,15H2,1-3H3,(H,23,27)(H,24,25);4-11,13H,3,12,14H2,1-2H3,(H,22,23);4-10,12-13H,3,11,14H2,1-2H3,(H,22,23)
InChIKeyIZMRBKMASJQJSV-UHFFFAOYSA-N
XLogP18.18
TPSA214.01 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001449.81
LogP ≤ 518.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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
5-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide
CID 117671056
5-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide
CID 117671057
N,N-dimethyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide
CID 117671204
N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide
CID 117671206
N,N-dimethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide
CID 117673398
N-methyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide
CID 117673399
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
N-methyl-3-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[methyl-[3-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-3-yl]phenoxy]benzoyl]amino]pyrazol-3-yl]phenoxy]benzamide
CID 137252424
N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
CID 144741630
2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide
CID 147972087

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccc(F)cc2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 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?
The InChIKey is IZMRBKMASJQJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C22H26N4O2.2C20H22FN3O/c1-5-13-27(4)16-18-15-24-25-22(18)17-11-12-21(20(14-17)23(28)26(2)3)29-19-9-7-6-8-10-19;1-4-12-26(3)15-17-14-24-25-21(17)16-10-11-20(19(13-16)22(27)23-2)28-18-8-6-5-7-9-18;1-3-12-24(2)14-16-13-22-23-20(16)15-4-8-18(9-5-15)25-19-10-6-17(21)7-11-19;1-3-11-24(2)14-16-13-22-23-20(16)15-9-10-19(18(21)12-15)25-17-7-5-4-6-8-17/h6-12,14-15H,5,13,16H2,1-4H3,(H,24,25);5-11,13-14H,4,12,15H2,1-3H3,(H,23,27)(H,24,25);4-11,13H,3,12,14H2,1-2H3,(H,22,23);4-10,12-13H,3,11,14H2,1-2H3,(H,22,23).
What are the key properties of 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?
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 has a molecular weight of 1449.81 g/mol, XLogP of 18.18, 30 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158851467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).