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

C86H109F2N13O4 — CID 157426049

IUPAC2-[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
SMILESCCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2cccc(C(C)C)c2)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2C(=O)NC)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)c(CC(C)C)c1
InChIInChI=1S/C24H31N3O.C23H28N4O2.C21H24FN3O.C18H26FN3/c1-5-6-14-27(4)17-24-23(16-25-26-24)19-10-12-21(13-11-19)28-22-9-7-8-20(15-22)18(2)3;1-4-5-14-27(3)16-21-20(15-25-26-21)17-10-12-18(13-11-17)29-22-9-7-6-8-19(22)23(28)24-2;1-3-4-13-25(2)15-20-18(14-23-24-20)16-9-11-17(12-10-16)26-21-8-6-5-7-19(21)22;1-5-8-22(4)12-16-11-20-21-18(16)14-6-7-17(19)15(10-14)9-13(2)3/h7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-13,15H,4-5,14,16H2,1-3H3,(H,24,28)(H,25,26);5-12,14H,3-4,13,15H2,1-2H3,(H,23,24);6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,20,21)
InChIKeyBPYXADQRQYMQJH-UHFFFAOYSA-N
MW1426.90 g/mol
LogP20.18
Rot. Bonds33

About 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

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 (PubChem CID 157426049) has the molecular formula C86H109F2N13O4 and a molecular weight of 1426.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157426049
Molecular FormulaC86H109F2N13O4
Molecular Weight1426.90 g/mol
Exact Mass1425.87
IUPAC Name2-[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
SMILESCCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2cccc(C(C)C)c2)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2C(=O)NC)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)c(CC(C)C)c1
InChIInChI=1S/C24H31N3O.C23H28N4O2.C21H24FN3O.C18H26FN3/c1-5-6-14-27(4)17-24-23(16-25-26-24)19-10-12-21(13-11-19)28-22-9-7-8-20(15-22)18(2)3;1-4-5-14-27(3)16-21-20(15-25-26-21)17-10-12-18(13-11-17)29-22-9-7-6-8-19(22)23(28)24-2;1-3-4-13-25(2)15-20-18(14-23-24-20)16-9-11-17(12-10-16)26-21-8-6-5-7-19(21)22;1-5-8-22(4)12-16-11-20-21-18(16)14-6-7-17(19)15(10-14)9-13(2)3/h7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-13,15H,4-5,14,16H2,1-3H3,(H,24,28)(H,25,26);5-12,14H,3-4,13,15H2,1-2H3,(H,23,24);6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,20,21)
InChIKeyBPYXADQRQYMQJH-UHFFFAOYSA-N
XLogP20.18
TPSA184.47 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.90
LogP ≤ 520.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

N-methyl-2-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673406
2-[4-[1-[4-fluoro-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]phenyl]-3-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyrazol-4-yl]phenoxy]-N-methylbenzamide
CID 123937242
N-[[5-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[2-methyl-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 159616722
N-[[4-[2,3-dimethyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 161461915
N-[[4-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 161813847
N-[[4-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[2-methyl-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[5-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 161814120
N-methyl-5-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzamide
CID 117673388
N,N-dimethyl-5-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-2-phenoxybenzamide
CID 117673446
N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide
CID 123219166
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2cccc(C(C)C)c2)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2C(=O)NC)cc1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)c(CC(C)C)c1.
What is the InChIKey of 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?
The InChIKey is BPYXADQRQYMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O.C23H28N4O2.C21H24FN3O.C18H26FN3/c1-5-6-14-27(4)17-24-23(16-25-26-24)19-10-12-21(13-11-19)28-22-9-7-8-20(15-22)18(2)3;1-4-5-14-27(3)16-21-20(15-25-26-21)17-10-12-18(13-11-17)29-22-9-7-6-8-19(22)23(28)24-2;1-3-4-13-25(2)15-20-18(14-23-24-20)16-9-11-17(12-10-16)26-21-8-6-5-7-19(21)22;1-5-8-22(4)12-16-11-20-21-18(16)14-6-7-17(19)15(10-14)9-13(2)3/h7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-13,15H,4-5,14,16H2,1-3H3,(H,24,28)(H,25,26);5-12,14H,3-4,13,15H2,1-2H3,(H,23,24);6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 1426.90 g/mol, XLogP of 20.18, 33 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157426049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).