6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C100H145FN18O5 — CID 158975417

IUPAC6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn(CCCC(O)CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(CO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(O)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(O)c1
InChIInChI=1S/C21H32FN3O.C17H25N3.2C16H23N3O.2C15H21N3O/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;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-4-5-10-19(2)12-14-11-17-18-16(14)13-6-8-15(20-3)9-7-13;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12;1-3-4-8-18(2)11-13-10-16-17-15(13)12-6-5-7-14(19)9-12/h9-12,16,20,26H,4-8,13-15H2,1-3H3;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);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);5-8,10,19H,3-4,9,11H2,1-2H3,(H,16,17);5-7,9-10,19H,3-4,8,11H2,1-2H3,(H,16,17)
InChIKeyJOIHRYTTWXGDBU-UHFFFAOYSA-N
MW1698.38 g/mol
LogP20.54
Rot. Bonds43

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

6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 158975417) has the molecular formula C100H145FN18O5 and a molecular weight of 1698.38 g/mol. Its IUPAC name is 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID158975417
Molecular FormulaC100H145FN18O5
Molecular Weight1698.38 g/mol
Exact Mass1697.16
IUPAC Name6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn(CCCC(O)CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(CO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(O)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(O)c1
InChIInChI=1S/C21H32FN3O.C17H25N3.2C16H23N3O.2C15H21N3O/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;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-4-5-10-19(2)12-14-11-17-18-16(14)13-6-8-15(20-3)9-7-13;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12;1-3-4-8-18(2)11-13-10-16-17-15(13)12-6-5-7-14(19)9-12/h9-12,16,20,26H,4-8,13-15H2,1-3H3;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);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);5-8,10,19H,3-4,9,11H2,1-2H3,(H,16,17);5-7,9-10,19H,3-4,8,11H2,1-2H3,(H,16,17)
InChIKeyJOIHRYTTWXGDBU-UHFFFAOYSA-N
XLogP20.54
TPSA270.81 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds43
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001698.38
LogP ≤ 520.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-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;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 158975417) is 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn(CCCC(O)CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCCN(C)Cc1cn[nH]c1-c1ccc(CO)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(O)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCCN(C)Cc1cn[nH]c1-c1cccc(O)c1.
What is the InChIKey of 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is JOIHRYTTWXGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O.C17H25N3.2C16H23N3O.2C15H21N3O/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;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-4-5-10-19(2)12-14-11-17-18-16(14)13-6-8-15(20-3)9-7-13;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12;1-3-4-8-18(2)11-13-10-16-17-15(13)12-6-5-7-14(19)9-12/h9-12,16,20,26H,4-8,13-15H2,1-3H3;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);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);5-8,10,19H,3-4,9,11H2,1-2H3,(H,16,17);5-7,9-10,19H,3-4,8,11H2,1-2H3,(H,16,17).
What are the key properties of 6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
6-[4-[[butyl(methyl)amino]methyl]-3-(4-fluorophenyl)pyrazol-1-yl]hexan-3-ol;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1698.38 g/mol, XLogP of 20.54, 43 rotatable bonds, 9 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;3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenol;[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]methanol;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 158975417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).