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

C107H122F2N18O7 — CID 161236858

IUPAC5-[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
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C#N)c1.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
InChIInChI=1S/C23H28N4O2.C22H26N4O2.C22H24N4O.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;1-3-4-12-26(2)16-19-15-24-25-22(19)17-10-11-21(18(13-17)14-23)27-20-8-6-5-7-9-20;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);5-11,13,15H,3-4,12,16H2,1-2H3,(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)
InChIKeyUZMGNPSVMNNEHN-UHFFFAOYSA-N
MW1810.27 g/mol
LogP23.16
Rot. Bonds38

About 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

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 (PubChem CID 161236858) has the molecular formula C107H122F2N18O7 and a molecular weight of 1810.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID161236858
Molecular FormulaC107H122F2N18O7
Molecular Weight1810.27 g/mol
Exact Mass1808.97
IUPAC Name5-[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
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C#N)c1.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
InChIInChI=1S/C23H28N4O2.C22H26N4O2.C22H24N4O.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;1-3-4-12-26(2)16-19-15-24-25-22(19)17-10-11-21(18(13-17)14-23)27-20-8-6-5-7-9-20;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);5-11,13,15H,3-4,12,16H2,1-2H3,(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)
InChIKeyUZMGNPSVMNNEHN-UHFFFAOYSA-N
XLogP23.16
TPSA278.95 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001810.27
LogP ≤ 523.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)c(C#N)c1.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 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?
The InChIKey is UZMGNPSVMNNEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C22H26N4O2.C22H24N4O.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;1-3-4-12-26(2)16-19-15-24-25-22(19)17-10-11-21(18(13-17)14-23)27-20-8-6-5-7-9-20;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);5-11,13,15H,3-4,12,16H2,1-2H3,(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 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?
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 has a molecular weight of 1810.27 g/mol, XLogP of 23.16, 38 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161236858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).