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

C71H89N11O5 — CID 159699145

IUPAC3-[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
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)NC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C24H30N4O2.C24H31N3O.C23H28N4O2/c1-5-6-14-28(4)17-20-16-25-26-23(20)18-10-12-21(13-11-18)30-22-9-7-8-19(15-22)24(29)27(2)3;1-5-6-14-27(4)17-21-16-25-26-24(21)19-10-12-22(13-11-19)28-23-9-7-8-20(15-23)18(2)3;1-4-5-13-27(3)16-19-15-25-26-22(19)17-9-11-20(12-10-17)29-21-8-6-7-18(14-21)23(28)24-2/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyMXJZJQGLTONBQR-UHFFFAOYSA-N
MW1176.56 g/mol
LogP15.49
Rot. Bonds27

About 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

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 (PubChem CID 159699145) has the molecular formula C71H89N11O5 and a molecular weight of 1176.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159699145
Molecular FormulaC71H89N11O5
Molecular Weight1176.56 g/mol
Exact Mass1175.70
IUPAC Name3-[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
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)NC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C24H30N4O2.C24H31N3O.C23H28N4O2/c1-5-6-14-28(4)17-20-16-25-26-23(20)18-10-12-21(13-11-18)30-22-9-7-8-19(15-22)24(29)27(2)3;1-5-6-14-27(4)17-21-16-25-26-24(21)19-10-12-22(13-11-19)28-23-9-7-8-20(15-23)18(2)3;1-4-5-13-27(3)16-19-15-25-26-22(19)17-9-11-20(12-10-17)29-21-8-6-7-18(14-21)23(28)24-2/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyMXJZJQGLTONBQR-UHFFFAOYSA-N
XLogP15.49
TPSA172.86 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.56
LogP ≤ 515.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

N,N-dimethyl-3-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
CID 117673407
N,N-dimethyl-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673422
2-[3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-5-(1,1-difluoroethyl)phenoxy]-4-methylpentan-1-ol;1-[3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;N-[[5-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 160804431
5-ethoxy-2-[[[7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazol-5-yl]methylamino]methyl]-4-(3-fluorophenyl)-N-methyl-N-[[4-(methylaminomethyl)-1H-indazol-7-yl]methyl]benzamide
CID 171106793
N-methyl-3-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
CID 117673381
N-methyl-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673450
[4-[4-(4-phenoxyphenyl)-1H-pyrazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 123678004
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-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[methyl-[3-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzoyl]amino]methyl]pyrazol-3-yl]phenoxy]-N-[[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(3-propan-2-ylphenoxy)phenyl]pyrazol-1-yl]methyl]benzamide
CID 131966294
1-[(1-But-2-ynoylpyrrolidin-3-yl)methyl]-3-[4-[3-[4-[[4-carbamoyl-3-(4-phenoxyphenyl)pyrazol-1-yl]methyl]-1-prop-2-enoylpyrrolidin-2-yl]phenoxy]phenyl]pyrazole-4-carboxamide
CID 132106966
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
3-[4-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]phenoxy]-N,N-dimethylbenzamide
CID 147527241

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)NC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(C)C)c2)cc1.
What is the InChIKey of 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?
The InChIKey is MXJZJQGLTONBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C24H31N3O.C23H28N4O2/c1-5-6-14-28(4)17-20-16-25-26-23(20)18-10-12-21(13-11-18)30-22-9-7-8-19(15-22)24(29)27(2)3;1-5-6-14-27(4)17-21-16-25-26-24(21)19-10-12-22(13-11-19)28-23-9-7-8-20(15-23)18(2)3;1-4-5-13-27(3)16-19-15-25-26-22(19)17-9-11-20(12-10-17)29-21-8-6-7-18(14-21)23(28)24-2/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 1176.56 g/mol, XLogP of 15.49, 27 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159699145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).