8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol

C89H147N15O8 — CID 158446880

IUPAC8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol
SMILESCCC(O)CCOCC1CCCC(c2[nH]ncc2CN(C)CCNC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(=O)N(CCc2ccccc2)C1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CCN(Cc1ccc(OCCOC)cc1)C2=O.CCCCN(C)Cc1cn[nH]c1C1CCCC(COCCOC)C1
InChIInChI=1S/C28H42N4O3.C22H32N4O.C20H38N4O2.C19H35N3O2/c1-4-5-15-31(2)21-24-19-29-30-26(24)23-10-12-28(13-11-23)14-16-32(27(28)33)20-22-6-8-25(9-7-22)35-18-17-34-3;1-3-4-13-25(2)16-20-15-23-24-22(20)19-10-11-21(27)26(17-19)14-12-18-8-6-5-7-9-18;1-4-19(25)8-11-26-15-16-6-5-7-17(12-16)20-18(13-22-23-20)14-24(3)10-9-21-2;1-4-5-9-22(2)14-18-13-20-21-19(18)17-8-6-7-16(12-17)15-24-11-10-23-3/h6-9,19,23H,4-5,10-18,20-21H2,1-3H3,(H,29,30);5-9,15,19H,3-4,10-14,16-17H2,1-2H3,(H,23,24);13,16-17,19,21,25H,4-12,14-15H2,1-3H3,(H,22,23);13,16-17H,4-12,14-15H2,1-3H3,(H,20,21)
InChIKeyHDMPOJDGJIQVSL-UHFFFAOYSA-N
MW1555.25 g/mol
LogP14.42
Rot. Bonds44

About 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol

8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol (PubChem CID 158446880) has the molecular formula C89H147N15O8 and a molecular weight of 1555.25 g/mol. Its IUPAC name is 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol.

Molecular Properties

Compound Name8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol
PubChem CID158446880
Molecular FormulaC89H147N15O8
Molecular Weight1555.25 g/mol
Exact Mass1554.16
IUPAC Name8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol
SMILESCCC(O)CCOCC1CCCC(c2[nH]ncc2CN(C)CCNC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(=O)N(CCc2ccccc2)C1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CCN(Cc1ccc(OCCOC)cc1)C2=O.CCCCN(C)Cc1cn[nH]c1C1CCCC(COCCOC)C1
InChIInChI=1S/C28H42N4O3.C22H32N4O.C20H38N4O2.C19H35N3O2/c1-4-5-15-31(2)21-24-19-29-30-26(24)23-10-12-28(13-11-23)14-16-32(27(28)33)20-22-6-8-25(9-7-22)35-18-17-34-3;1-3-4-13-25(2)16-20-15-23-24-22(20)19-10-11-21(27)26(17-19)14-12-18-8-6-5-7-9-18;1-4-19(25)8-11-26-15-16-6-5-7-17(12-16)20-18(13-22-23-20)14-24(3)10-9-21-2;1-4-5-9-22(2)14-18-13-20-21-19(18)17-8-6-7-16(12-17)15-24-11-10-23-3/h6-9,19,23H,4-5,10-18,20-21H2,1-3H3,(H,29,30);5-9,15,19H,3-4,10-14,16-17H2,1-2H3,(H,23,24);13,16-17,19,21,25H,4-12,14-15H2,1-3H3,(H,22,23);13,16-17H,4-12,14-15H2,1-3H3,(H,20,21)
InChIKeyHDMPOJDGJIQVSL-UHFFFAOYSA-N
XLogP14.42
TPSA246.71 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds44
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001555.25
LogP ≤ 514.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol?
The IUPAC name of 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol (CID 158446880) is 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol.
What is the SMILES notation for 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol?
The canonical SMILES for 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol is CCC(O)CCOCC1CCCC(c2[nH]ncc2CN(C)CCNC)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(=O)N(CCc2ccccc2)C1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CCN(Cc1ccc(OCCOC)cc1)C2=O.CCCCN(C)Cc1cn[nH]c1C1CCCC(COCCOC)C1.
What is the InChIKey of 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol?
The InChIKey is HDMPOJDGJIQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3.C22H32N4O.C20H38N4O2.C19H35N3O2/c1-4-5-15-31(2)21-24-19-29-30-26(24)23-10-12-28(13-11-23)14-16-32(27(28)33)20-22-6-8-25(9-7-22)35-18-17-34-3;1-3-4-13-25(2)16-20-15-23-24-22(20)19-10-11-21(27)26(17-19)14-12-18-8-6-5-7-9-18;1-4-19(25)8-11-26-15-16-6-5-7-17(12-16)20-18(13-22-23-20)14-24(3)10-9-21-2;1-4-5-9-22(2)14-18-13-20-21-19(18)17-8-6-7-16(12-17)15-24-11-10-23-3/h6-9,19,23H,4-5,10-18,20-21H2,1-3H3,(H,29,30);5-9,15,19H,3-4,10-14,16-17H2,1-2H3,(H,23,24);13,16-17,19,21,25H,4-12,14-15H2,1-3H3,(H,22,23);13,16-17H,4-12,14-15H2,1-3H3,(H,20,21).
What are the key properties of 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol?
8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol has a molecular weight of 1555.25 g/mol, XLogP of 14.42, 44 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]-2-azaspiro[4.5]decan-1-one;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidin-2-one;N-[[5-[3-(2-methoxyethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;1-[[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]methoxy]pentan-3-ol is sourced from PubChem (CID 158446880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).