N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C109H187N17O8 — CID 159299192

IUPACN-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC=C(C1CCC(c2[nH]ncc2CN(C)CCCC)CC1)N(C)CCOc1ccccc1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@@H](C(=O)OC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@H](C(=O)OC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(N(CCOC)C(=O)CCC(C)C)CC1.CCCCN(C)Cc1cnn(C)c1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C26H40N4O.C24H44N4O2.C21H37N3O.2C19H33N3O2/c1-5-6-16-29(3)20-24-19-27-28-26(24)23-14-12-22(13-15-23)21(2)30(4)17-18-31-25-10-8-7-9-11-25;1-6-7-14-27(4)18-21-17-25-26-24(21)20-9-11-22(12-10-20)28(15-16-30-5)23(29)13-8-19(2)3;1-6-7-12-23(4)14-18-13-22-24(5)19(18)17-8-10-21(11-9-17)15-20(2,3)16-25-21;2*1-6-7-10-22(4)13-15-12-20-21-17(15)14-8-9-19(2,3)16(11-14)18(23)24-5/h7-11,19,22-23H,2,5-6,12-18,20H2,1,3-4H3,(H,27,28);17,19-20,22H,6-16,18H2,1-5H3,(H,25,26);13,17H,6-12,14-16H2,1-5H3;2*12,14,16H,6-11,13H2,1-5H3,(H,20,21)/t;;;2*14?,16-/m...10/s1
InChIKeyLBCNTDHZJKLZJV-NDFHPFRMSA-N
MW1863.81 g/mol
LogP21.96
Rot. Bonds45

About N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 159299192) has the molecular formula C109H187N17O8 and a molecular weight of 1863.81 g/mol. Its IUPAC name is N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID159299192
Molecular FormulaC109H187N17O8
Molecular Weight1863.81 g/mol
Exact Mass1862.47
IUPAC NameN-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC=C(C1CCC(c2[nH]ncc2CN(C)CCCC)CC1)N(C)CCOc1ccccc1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@@H](C(=O)OC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@H](C(=O)OC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(N(CCOC)C(=O)CCC(C)C)CC1.CCCCN(C)Cc1cnn(C)c1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C26H40N4O.C24H44N4O2.C21H37N3O.2C19H33N3O2/c1-5-6-16-29(3)20-24-19-27-28-26(24)23-14-12-22(13-15-23)21(2)30(4)17-18-31-25-10-8-7-9-11-25;1-6-7-14-27(4)18-21-17-25-26-24(21)20-9-11-22(12-10-20)28(15-16-30-5)23(29)13-8-19(2)3;1-6-7-12-23(4)14-18-13-22-24(5)19(18)17-8-10-21(11-9-17)15-20(2,3)16-25-21;2*1-6-7-10-22(4)13-15-12-20-21-17(15)14-8-9-19(2,3)16(11-14)18(23)24-5/h7-11,19,22-23H,2,5-6,12-18,20H2,1,3-4H3,(H,27,28);17,19-20,22H,6-16,18H2,1-5H3,(H,25,26);13,17H,6-12,14-16H2,1-5H3;2*12,14,16H,6-11,13H2,1-5H3,(H,20,21)/t;;;2*14?,16-/m...10/s1
InChIKeyLBCNTDHZJKLZJV-NDFHPFRMSA-N
XLogP21.96
TPSA252.58 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds45
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.81
LogP ≤ 521.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 159299192) is N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C=C(C1CCC(c2[nH]ncc2CN(C)CCCC)CC1)N(C)CCOc1ccccc1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@@H](C(=O)OC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@H](C(=O)OC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(N(CCOC)C(=O)CCC(C)C)CC1.CCCCN(C)Cc1cnn(C)c1C1CCC2(CC1)CC(C)(C)CO2.
What is the InChIKey of N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is LBCNTDHZJKLZJV-NDFHPFRMSA-N. The full InChI is InChI=1S/C26H40N4O.C24H44N4O2.C21H37N3O.2C19H33N3O2/c1-5-6-16-29(3)20-24-19-27-28-26(24)23-14-12-22(13-15-23)21(2)30(4)17-18-31-25-10-8-7-9-11-25;1-6-7-14-27(4)18-21-17-25-26-24(21)20-9-11-22(12-10-20)28(15-16-30-5)23(29)13-8-19(2)3;1-6-7-12-23(4)14-18-13-22-24(5)19(18)17-8-10-21(11-9-17)15-20(2,3)16-25-21;2*1-6-7-10-22(4)13-15-12-20-21-17(15)14-8-9-19(2,3)16(11-14)18(23)24-5/h7-11,19,22-23H,2,5-6,12-18,20H2,1,3-4H3,(H,27,28);17,19-20,22H,6-16,18H2,1-5H3,(H,25,26);13,17H,6-12,14-16H2,1-5H3;2*12,14,16H,6-11,13H2,1-5H3,(H,20,21)/t;;;2*14?,16-/m...10/s1.
What are the key properties of N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1863.81 g/mol, XLogP of 21.96, 45 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(2-methoxyethyl)-4-methylpentanamide;N-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N-methylbutan-1-amine;methyl (1S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;methyl (1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxylate;N-methyl-N-[[5-[4-[1-[methyl(2-phenoxyethyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 159299192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).