4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine

C105H143F5N18 — CID 158617305

IUPAC4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1=C(c2ccc(C#N)cc2)CN=C1.CCCCN(C)Cc1cn(C(C)C)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn(C2CC2)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)cc(F)c1.CCCCN(C)Cc1cnn(C(C)C)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/2C18H24FN3.2C18H26FN3.C17H21N3.C16H22FN3/c1-3-4-11-21(2)12-15-13-22(17-9-10-17)20-18(15)14-5-7-16(19)8-6-14;1-3-4-11-21(2)13-15-12-20-22(17-9-10-17)18(15)14-5-7-16(19)8-6-14;1-5-6-11-21(4)12-16-13-22(14(2)3)20-18(16)15-7-9-17(19)10-8-15;1-5-6-11-21(4)13-16-12-20-22(14(2)3)18(16)15-7-9-17(19)10-8-15;1-3-4-9-20(2)13-16-11-19-12-17(16)15-7-5-14(10-18)6-8-15;1-4-5-6-20(3)11-14-10-18-19-16(14)13-7-12(2)8-15(17)9-13/h5-8,13,17H,3-4,9-12H2,1-2H3;5-8,12,17H,3-4,9-11,13H2,1-2H3;7-10,13-14H,5-6,11-12H2,1-4H3;7-10,12,14H,5-6,11,13H2,1-4H3;5-8,11H,3-4,9,12-13H2,1-2H3;7-10H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyHXNXEYVOEUZYNA-UHFFFAOYSA-N
MW1752.41 g/mol
LogP24.40
Rot. Bonds40

About 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine

4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 158617305) has the molecular formula C105H143F5N18 and a molecular weight of 1752.41 g/mol. Its IUPAC name is 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID158617305
Molecular FormulaC105H143F5N18
Molecular Weight1752.41 g/mol
Exact Mass1751.17
IUPAC Name4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1=C(c2ccc(C#N)cc2)CN=C1.CCCCN(C)Cc1cn(C(C)C)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn(C2CC2)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)cc(F)c1.CCCCN(C)Cc1cnn(C(C)C)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/2C18H24FN3.2C18H26FN3.C17H21N3.C16H22FN3/c1-3-4-11-21(2)12-15-13-22(17-9-10-17)20-18(15)14-5-7-16(19)8-6-14;1-3-4-11-21(2)13-15-12-20-22(17-9-10-17)18(15)14-5-7-16(19)8-6-14;1-5-6-11-21(4)12-16-13-22(14(2)3)20-18(16)15-7-9-17(19)10-8-15;1-5-6-11-21(4)13-16-12-20-22(14(2)3)18(16)15-7-9-17(19)10-8-15;1-3-4-9-20(2)13-16-11-19-12-17(16)15-7-5-14(10-18)6-8-15;1-4-5-6-20(3)11-14-10-18-19-16(14)13-7-12(2)8-15(17)9-13/h5-8,13,17H,3-4,9-12H2,1-2H3;5-8,12,17H,3-4,9-11,13H2,1-2H3;7-10,13-14H,5-6,11-12H2,1-4H3;7-10,12,14H,5-6,11,13H2,1-4H3;5-8,11H,3-4,9,12-13H2,1-2H3;7-10H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyHXNXEYVOEUZYNA-UHFFFAOYSA-N
XLogP24.40
TPSA155.55 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds40
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001752.41
LogP ≤ 524.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158492183
3-Cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;1-(difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 160366227
3-Cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;2-fluoro-6-(1-methylpyrazol-4-yl)-3-propan-2-ylbenzonitrile;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-ylbenzonitrile;2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 161900879
N-[[1-(cyclohexylmethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 157689871
N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 157935395
N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
CID 158639639
N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)-1H-pyrazol-2-ium-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 159480724
N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine
CID 159882998
2-(2,4-Difluoro-6-methylphenyl)-1,5-dimethyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrazol-2-ium;4-(2,3-dimethylpyrazol-1-ium-1-yl)-3-methylbenzonitrile;4-(2,4-dimethylpyrazol-2-ium-1-yl)-3-methylbenzonitrile;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)benzonitrile;3-methyl-4-(1,4,5-trimethylpyrazol-2-ium-2-yl)benzonitrile
CID 160237786
5-[4-[2-(2,6-Difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole
CID 160770456
4-[1-(cyclopropylmethyl)pyrazol-3-yl]benzonitrile;[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine;4-(1H-pyrazol-5-yl)benzonitrile
CID 160788242
4-[4-[[2-(azetidin-1-yl)ethyl-methylamino]methyl]-1H-pyrazol-5-yl]benzonitrile;4-[4-[[2-[cyclopropyl(methyl)amino]ethyl-methylamino]methyl]-1H-pyrazol-5-yl]benzonitrile;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine;4-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 160900419

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 158617305) is 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)CC1=C(c2ccc(C#N)cc2)CN=C1.CCCCN(C)Cc1cn(C(C)C)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn(C2CC2)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)cc(F)c1.CCCCN(C)Cc1cnn(C(C)C)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(C2CC2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is HXNXEYVOEUZYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H24FN3.2C18H26FN3.C17H21N3.C16H22FN3/c1-3-4-11-21(2)12-15-13-22(17-9-10-17)20-18(15)14-5-7-16(19)8-6-14;1-3-4-11-21(2)13-15-12-20-22(17-9-10-17)18(15)14-5-7-16(19)8-6-14;1-5-6-11-21(4)12-16-13-22(14(2)3)20-18(16)15-7-9-17(19)10-8-15;1-5-6-11-21(4)13-16-12-20-22(14(2)3)18(16)15-7-9-17(19)10-8-15;1-3-4-9-20(2)13-16-11-19-12-17(16)15-7-5-14(10-18)6-8-15;1-4-5-6-20(3)11-14-10-18-19-16(14)13-7-12(2)8-15(17)9-13/h5-8,13,17H,3-4,9-12H2,1-2H3;5-8,12,17H,3-4,9-11,13H2,1-2H3;7-10,13-14H,5-6,11-12H2,1-4H3;7-10,12,14H,5-6,11,13H2,1-4H3;5-8,11H,3-4,9,12-13H2,1-2H3;7-10H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine?
4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1752.41 g/mol, XLogP of 24.40, 40 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[butyl(methyl)amino]methyl]-2H-pyrrol-3-yl]benzonitrile;N-[[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-cyclopropyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 158617305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).