6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

C107H156F2N20O2 — CID 162290978

IUPAC6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn(CCCC(O)CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC#N)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(N)c1.CCCCN(C)Cc1cnn(CCCC(O)CC)c1-c1ccc(F)cc1
InChIInChI=1S/2C21H32FN3O.C17H22N4.C17H25N3.C16H23N3.C15H22N4/c1-4-6-13-24(3)15-18-16-25(14-7-8-20(26)5-2)23-21(18)17-9-11-19(22)12-10-17;1-4-6-13-24(3)16-18-15-23-25(14-7-8-20(26)5-2)21(18)17-9-11-19(22)12-10-17;1-3-4-11-21(2)13-16-12-19-20-17(16)15-7-5-14(6-8-15)9-10-18;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-4-5-10-19(3)12-15-11-17-18-16(15)14-8-6-13(2)7-9-14;1-3-4-8-19(2)11-13-10-17-18-15(13)12-6-5-7-14(16)9-12/h9-12,16,20,26H,4-8,13-15H2,1-3H3;9-12,15,20,26H,4-8,13-14,16H2,1-3H3;5-8,12H,3-4,9,11,13H2,1-2H3,(H,19,20);7-8,10-11H,5-6,9,12H2,1-4H3,(H,18,19);6-9,11H,4-5,10,12H2,1-3H3,(H,17,18);5-7,9-10H,3-4,8,11,16H2,1-2H3,(H,17,18)
InChIKeyURCPLWSXFTZYMF-UHFFFAOYSA-N
MW1792.56 g/mol
LogP22.75
Rot. Bonds47

About 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 162290978) has the molecular formula C107H156F2N20O2 and a molecular weight of 1792.56 g/mol. Its IUPAC name is 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID162290978
Molecular FormulaC107H156F2N20O2
Molecular Weight1792.56 g/mol
Exact Mass1791.27
IUPAC Name6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn(CCCC(O)CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC#N)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(N)c1.CCCCN(C)Cc1cnn(CCCC(O)CC)c1-c1ccc(F)cc1
InChIInChI=1S/2C21H32FN3O.C17H22N4.C17H25N3.C16H23N3.C15H22N4/c1-4-6-13-24(3)15-18-16-25(14-7-8-20(26)5-2)23-21(18)17-9-11-19(22)12-10-17;1-4-6-13-24(3)16-18-15-23-25(14-7-8-20(26)5-2)21(18)17-9-11-19(22)12-10-17;1-3-4-11-21(2)13-16-12-19-20-17(16)15-7-5-14(6-8-15)9-10-18;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-4-5-10-19(3)12-15-11-17-18-16(15)14-8-6-13(2)7-9-14;1-3-4-8-19(2)11-13-10-17-18-15(13)12-6-5-7-14(16)9-12/h9-12,16,20,26H,4-8,13-15H2,1-3H3;9-12,15,20,26H,4-8,13-14,16H2,1-3H3;5-8,12H,3-4,9,11,13H2,1-2H3,(H,19,20);7-8,10-11H,5-6,9,12H2,1-4H3,(H,18,19);6-9,11H,4-5,10,12H2,1-3H3,(H,17,18);5-7,9-10H,3-4,8,11,16H2,1-2H3,(H,17,18)
InChIKeyURCPLWSXFTZYMF-UHFFFAOYSA-N
XLogP22.75
TPSA260.07 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds47
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001792.56
LogP ≤ 522.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 162290978) is 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1cn(CCCC(O)CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(CC#N)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(N)c1.CCCCN(C)Cc1cnn(CCCC(O)CC)c1-c1ccc(F)cc1.
What is the InChIKey of 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is URCPLWSXFTZYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H32FN3O.C17H22N4.C17H25N3.C16H23N3.C15H22N4/c1-4-6-13-24(3)15-18-16-25(14-7-8-20(26)5-2)23-21(18)17-9-11-19(22)12-10-17;1-4-6-13-24(3)16-18-15-23-25(14-7-8-20(26)5-2)21(18)17-9-11-19(22)12-10-17;1-3-4-11-21(2)13-16-12-19-20-17(16)15-7-5-14(6-8-15)9-10-18;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-4-5-10-19(3)12-15-11-17-18-16(15)14-8-6-13(2)7-9-14;1-3-4-8-19(2)11-13-10-17-18-15(13)12-6-5-7-14(16)9-12/h9-12,16,20,26H,4-8,13-15H2,1-3H3;9-12,15,20,26H,4-8,13-14,16H2,1-3H3;5-8,12H,3-4,9,11,13H2,1-2H3,(H,19,20);7-8,10-11H,5-6,9,12H2,1-4H3,(H,18,19);6-9,11H,4-5,10,12H2,1-3H3,(H,17,18);5-7,9-10H,3-4,8,11,16H2,1-2H3,(H,17,18).
What are the key properties of 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1792.56 g/mol, XLogP of 22.75, 47 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;6-[4-[[butyl(methyl)amino]methyl]-5-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]aniline;2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetonitrile;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 162290978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).