5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C87H112FN13O5 — CID 157176383

IUPAC5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(C(C)C)cc(C(C)C)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(F)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(OC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1
InChIInChI=1S/C23H28N4O2.C22H27N3O2.C21H24FN3O.C21H33N3/c1-4-5-13-27(3)16-18-15-25-26-22(18)17-11-12-21(20(14-17)23(28)24-2)29-19-9-7-6-8-10-19;1-4-5-13-25(2)16-18-15-23-24-22(18)17-9-11-19(12-10-17)27-21-8-6-7-20(14-21)26-3;1-3-4-12-25(2)15-17-14-23-24-21(17)16-8-10-19(11-9-16)26-20-7-5-6-18(22)13-20;1-7-8-9-24(6)14-20-13-22-23-21(20)19-11-17(15(2)3)10-18(12-19)16(4)5/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,23,24);5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);10-13,15-16H,7-9,14H2,1-6H3,(H,22,23)
InChIKeyAOBAPFFJDJHYNV-UHFFFAOYSA-N
MW1438.94 g/mol
LogP20.37
Rot. Bonds34

About 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 157176383) has the molecular formula C87H112FN13O5 and a molecular weight of 1438.94 g/mol. Its IUPAC name is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID157176383
Molecular FormulaC87H112FN13O5
Molecular Weight1438.94 g/mol
Exact Mass1437.89
IUPAC Name5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(C(C)C)cc(C(C)C)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(F)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(OC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1
InChIInChI=1S/C23H28N4O2.C22H27N3O2.C21H24FN3O.C21H33N3/c1-4-5-13-27(3)16-18-15-25-26-22(18)17-11-12-21(20(14-17)23(28)24-2)29-19-9-7-6-8-10-19;1-4-5-13-25(2)16-18-15-23-24-22(18)17-9-11-19(12-10-17)27-21-8-6-7-20(14-21)26-3;1-3-4-12-25(2)15-17-14-23-24-21(17)16-8-10-19(11-9-16)26-20-7-5-6-18(22)13-20;1-7-8-9-24(6)14-20-13-22-23-21(20)19-11-17(15(2)3)10-18(12-19)16(4)5/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,23,24);5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);10-13,15-16H,7-9,14H2,1-6H3,(H,22,23)
InChIKeyAOBAPFFJDJHYNV-UHFFFAOYSA-N
XLogP20.37
TPSA193.70 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.94
LogP ≤ 520.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine with MolForge

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
CID 161440877
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 157274922
2-[4-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]phenoxy]-N-methylbenzamide;N-[[5-[4-fluoro-3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[4-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine
CID 157426049
5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[4-(2-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine
CID 158403073
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,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
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-dimethyl-2-phenoxybenzamide;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzonitrile;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol;N-methyl-N-[[5-[3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 158906746
3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;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
CID 159699145
N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-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-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine
CID 159829344
N-[[5-[3-chloro-4-(3-methoxypropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N-dimethyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide;N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzamide
CID 160308253
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzonitrile;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 161236858
N-[[5-[3,5-bis(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-[3-chloro-4-(cyclopropylmethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-fluoro-3-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
CID 161521063

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 157176383) is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(C(C)C)cc(C(C)C)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(F)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(OC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C(=O)NC)c1.
What is the InChIKey of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is AOBAPFFJDJHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C22H27N3O2.C21H24FN3O.C21H33N3/c1-4-5-13-27(3)16-18-15-25-26-22(18)17-11-12-21(20(14-17)23(28)24-2)29-19-9-7-6-8-10-19;1-4-5-13-25(2)16-18-15-23-24-22(18)17-9-11-19(12-10-17)27-21-8-6-7-20(14-21)26-3;1-3-4-12-25(2)15-17-14-23-24-21(17)16-8-10-19(11-9-16)26-20-7-5-6-18(22)13-20;1-7-8-9-24(6)14-20-13-22-23-21(20)19-11-17(15(2)3)10-18(12-19)16(4)5/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,23,24);5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,24);10-13,15-16H,7-9,14H2,1-6H3,(H,22,23).
What are the key properties of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1438.94 g/mol, XLogP of 20.37, 34 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-2-phenoxybenzamide;N-[[5-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-fluorophenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 157176383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).