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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C108H153F6N19O — CID 159366237

IUPACN-[[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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn(CC2CCCCC2)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(C)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC2CCOCC2)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C22H32FN3.C21H30FN3O.2C17H24FN3.C16H22FN3.C15H21FN4/c1-3-4-14-25(2)16-20-17-26(15-18-8-6-5-7-9-18)24-22(20)19-10-12-21(23)13-11-19;1-3-4-11-24(2)16-19-14-23-25(15-17-9-12-26-13-10-17)21(19)18-5-7-20(22)8-6-18;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-4-5-10-19(2)12-14-11-18-20(3)16(14)13-6-8-15(17)9-7-13;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h10-13,17-18H,3-9,14-16H2,1-2H3;5-8,14,17H,3-4,9-13,15-16H2,1-2H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;6-9,11H,4-5,10,12H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyLJDVBVQLVDRGHJ-UHFFFAOYSA-N
MW1847.53 g/mol
LogP23.45
Rot. Bonds43

About 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine

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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 159366237) has the molecular formula C108H153F6N19O and a molecular weight of 1847.53 g/mol. Its IUPAC name is 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID159366237
Molecular FormulaC108H153F6N19O
Molecular Weight1847.53 g/mol
Exact Mass1846.24
IUPAC NameN-[[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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn(CC2CCCCC2)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(C)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC2CCOCC2)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C22H32FN3.C21H30FN3O.2C17H24FN3.C16H22FN3.C15H21FN4/c1-3-4-14-25(2)16-20-17-26(15-18-8-6-5-7-9-18)24-22(20)19-10-12-21(23)13-11-19;1-3-4-11-24(2)16-19-14-23-25(15-17-9-12-26-13-10-17)21(19)18-5-7-20(22)8-6-18;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-4-5-10-19(2)12-14-11-18-20(3)16(14)13-6-8-15(17)9-7-13;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h10-13,17-18H,3-9,14-16H2,1-2H3;5-8,14,17H,3-4,9-13,15-16H2,1-2H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;6-9,11H,4-5,10,12H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyLJDVBVQLVDRGHJ-UHFFFAOYSA-N
XLogP23.45
TPSA158.48 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.53
LogP ≤ 523.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine with MolForge

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Related Compounds

(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethoxy)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine
CID 160412478
(2R,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4S)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2S,4R)-1-tert-butyl-4-fluoro-2-phenylpiperidine;(2R,3S)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2S,3R)-1-tert-butyl-3-methyl-2-phenylpiperidine;(2R,5R)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S,5S)-1-tert-butyl-5-methyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-4-yl)piperidine;(2R)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;(2S)-1-tert-butyl-2-(1H-pyrazol-5-yl)piperidine;5-[(2R)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;5-[(2S)-1-tert-butylpyrrolidin-2-yl]-1-methylpyrazole;(2R,4R)-4-fluoro-2-phenyl-1-propan-2-ylpiperidine
CID 157314716
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-[[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-[[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-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine
CID 158261421
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
N-[[3-(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-[[2-(4-fluorophenyl)-1-methylpyrrol-3-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 160309760
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
N-ethyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N'-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)-4H-pyrazol-1-ium-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;2-[5-(4-fluorophenyl)-4-[[methyl(propyl)amino]methyl]pyrazol-1-yl]ethanol;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylpropan-1-amine
CID 161495122
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-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine
CID 162116559

Frequently Asked Questions

What is the IUPAC name of 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 159366237) is 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cn(CC2CCCCC2)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(C)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC2CCOCC2)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is LJDVBVQLVDRGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3.C21H30FN3O.2C17H24FN3.C16H22FN3.C15H21FN4/c1-3-4-14-25(2)16-20-17-26(15-18-8-6-5-7-9-18)24-22(20)19-10-12-21(23)13-11-19;1-3-4-11-24(2)16-19-14-23-25(15-17-9-12-26-13-10-17)21(19)18-5-7-20(22)8-6-18;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-4-5-10-19(2)12-14-11-18-20(3)16(14)13-6-8-15(17)9-7-13;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h10-13,17-18H,3-9,14-16H2,1-2H3;5-8,14,17H,3-4,9-13,15-16H2,1-2H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;6-9,11H,4-5,10,12H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1847.53 g/mol, XLogP of 23.45, 43 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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;N-[[5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 159366237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).