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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

C91H135F2N15O3 — CID 158908651

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;[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-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(CO)cc1.CCCCN(C)Cc1cnn(CCCC(O)CC)c1-c1ccc(F)cc1
InChIInChI=1S/2C21H32FN3O.C17H25N3.C16H23N3O.C16H23N3/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;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-4-5-10-19(3)12-15-11-17-18-16(15)14-8-6-13(2)7-9-14/h9-12,16,20,26H,4-8,13-15H2,1-3H3;9-12,15,20,26H,4-8,13-14,16H2,1-3H3;7-8,10-11H,5-6,9,12H2,1-4H3,(H,18,19);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);6-9,11H,4-5,10,12H2,1-3H3,(H,17,18)
InChIKeyJGJDJHKBPLYHLQ-UHFFFAOYSA-N
MW1525.18 g/mol
LogP19.29
Rot. Bonds41

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;[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-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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158908651) has the molecular formula C91H135F2N15O3 and a molecular weight of 1525.18 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;[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-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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID158908651
Molecular FormulaC91H135F2N15O3
Molecular Weight1525.18 g/mol
Exact Mass1524.08
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;[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-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(CO)cc1.CCCCN(C)Cc1cnn(CCCC(O)CC)c1-c1ccc(F)cc1
InChIInChI=1S/2C21H32FN3O.C17H25N3.C16H23N3O.C16H23N3/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;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-4-5-10-19(3)12-15-11-17-18-16(15)14-8-6-13(2)7-9-14/h9-12,16,20,26H,4-8,13-15H2,1-3H3;9-12,15,20,26H,4-8,13-14,16H2,1-3H3;7-8,10-11H,5-6,9,12H2,1-4H3,(H,18,19);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);6-9,11H,4-5,10,12H2,1-3H3,(H,17,18)
InChIKeyJGJDJHKBPLYHLQ-UHFFFAOYSA-N
XLogP19.29
TPSA198.57 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds41
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001525.18
LogP ≤ 519.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[[5-(4-tert-butylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;3-[3-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]propane-1,2-diol;N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine;N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 161476139
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]but-3-en-1-ol;(1R)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]but-2-yn-1-ol;(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-2-(3,5-dimethylphenyl)ethanol;(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(2-methylphenyl)methanol;(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-2-phenylethanol
CID 161513921
Tert-butylbenzene;1-tert-butyl-3-(2-fluorophenyl)benzene;1-tert-butyl-3-(3-fluorophenyl)benzene;4-(3-tert-butyl-4-fluorophenyl)-1-methylpyrazole;2-tert-butyl-4-(1-methylpyrazol-4-yl)pyridine;2-tert-butyl-6-(1-methylpyrazol-4-yl)pyridine;3-tert-butyl-5-(1-methylpyrazol-4-yl)pyridine;4-tert-butyl-2-(1-methylpyrazol-4-yl)pyridine;3-tert-butyl-5-methylpyridine;1-[3-(3-tert-butylphenyl)phenyl]ethanol;2-[3-(3-tert-butylphenyl)phenyl]propan-2-ol;3-(3-tert-butylphenyl)pyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 161661029
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

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;[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-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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158908651) 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;[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-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;[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-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;[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-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(CO)cc1.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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is JGJDJHKBPLYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H32FN3O.C17H25N3.C16H23N3O.C16H23N3/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;1-5-6-9-20(4)12-15-11-18-19-17(15)16-8-7-13(2)10-14(16)3;1-3-4-9-19(2)11-15-10-17-18-16(15)14-7-5-13(12-20)6-8-14;1-4-5-10-19(3)12-15-11-17-18-16(15)14-8-6-13(2)7-9-14/h9-12,16,20,26H,4-8,13-15H2,1-3H3;9-12,15,20,26H,4-8,13-14,16H2,1-3H3;7-8,10-11H,5-6,9,12H2,1-4H3,(H,18,19);5-8,10,20H,3-4,9,11-12H2,1-2H3,(H,17,18);6-9,11H,4-5,10,12H2,1-3H3,(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;[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-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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1525.18 g/mol, XLogP of 19.29, 41 rotatable bonds, 6 hydrogen bond donors, and 15 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;[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-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158908651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).