4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C103H179F2N19O6 — CID 158498899

IUPAC4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC=C(C1CCC(c2[nH]ncc2CN(C)CCCC)CC1)N(C)CC(C)C.CCCCN(C)Cc1cn[nH]c1C1CCC(F)(F)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(N(CCOc2ccccc2)C(=O)CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(O)CC1.CNCCN(C)Cc1cn[nH]c1C1CCC(C(=O)N(CCCOC)CCC(C)C)CC1
InChIInChI=1S/C27H42N4O3.C24H45N5O2.C22H40N4.C15H25F2N3.C15H27N3O/c1-4-5-16-30(2)21-23-20-28-29-27(23)22-11-13-24(14-12-22)31(26(32)15-18-33-3)17-19-34-25-9-7-6-8-10-25;1-19(2)11-14-29(13-6-16-31-5)24(30)21-9-7-20(8-10-21)23-22(17-26-27-23)18-28(4)15-12-25-3;1-7-8-13-25(5)16-21-14-23-24-22(21)20-11-9-19(10-12-20)18(4)26(6)15-17(2)3;1-3-4-9-20(2)11-13-10-18-19-14(13)12-5-7-15(16,17)8-6-12;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12/h6-10,20,22,24H,4-5,11-19,21H2,1-3H3,(H,28,29);17,19-21,25H,6-16,18H2,1-5H3,(H,26,27);14,17,19-20H,4,7-13,15-16H2,1-3,5-6H3,(H,23,24);10,12H,3-9,11H2,1-2H3,(H,18,19);10,12,14,19H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyHJQIOKWCMVGTLZ-UHFFFAOYSA-N
MW1817.69 g/mol
LogP19.47
Rot. Bonds50

About 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158498899) has the molecular formula C103H179F2N19O6 and a molecular weight of 1817.69 g/mol. Its IUPAC name is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID158498899
Molecular FormulaC103H179F2N19O6
Molecular Weight1817.69 g/mol
Exact Mass1816.43
IUPAC Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC=C(C1CCC(c2[nH]ncc2CN(C)CCCC)CC1)N(C)CC(C)C.CCCCN(C)Cc1cn[nH]c1C1CCC(F)(F)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(N(CCOc2ccccc2)C(=O)CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(O)CC1.CNCCN(C)Cc1cn[nH]c1C1CCC(C(=O)N(CCCOC)CCC(C)C)CC1
InChIInChI=1S/C27H42N4O3.C24H45N5O2.C22H40N4.C15H25F2N3.C15H27N3O/c1-4-5-16-30(2)21-23-20-28-29-27(23)22-11-13-24(14-12-22)31(26(32)15-18-33-3)17-19-34-25-9-7-6-8-10-25;1-19(2)11-14-29(13-6-16-31-5)24(30)21-9-7-20(8-10-21)23-22(17-26-27-23)18-28(4)15-12-25-3;1-7-8-13-25(5)16-21-14-23-24-22(21)20-11-9-19(10-12-20)18(4)26(6)15-17(2)3;1-3-4-9-20(2)11-13-10-18-19-14(13)12-5-7-15(16,17)8-6-12;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12/h6-10,20,22,24H,4-5,11-19,21H2,1-3H3,(H,28,29);17,19-21,25H,6-16,18H2,1-5H3,(H,26,27);14,17,19-20H,4,7-13,15-16H2,1-3,5-6H3,(H,23,24);10,12H,3-9,11H2,1-2H3,(H,18,19);10,12,14,19H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyHJQIOKWCMVGTLZ-UHFFFAOYSA-N
XLogP19.47
TPSA263.41 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds50
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.69
LogP ≤ 519.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)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 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158498899) is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C=C(C1CCC(c2[nH]ncc2CN(C)CCCC)CC1)N(C)CC(C)C.CCCCN(C)Cc1cn[nH]c1C1CCC(F)(F)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(N(CCOc2ccccc2)C(=O)CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(O)CC1.CNCCN(C)Cc1cn[nH]c1C1CCC(C(=O)N(CCCOC)CCC(C)C)CC1.
What is the InChIKey of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is HJQIOKWCMVGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3.C24H45N5O2.C22H40N4.C15H25F2N3.C15H27N3O/c1-4-5-16-30(2)21-23-20-28-29-27(23)22-11-13-24(14-12-22)31(26(32)15-18-33-3)17-19-34-25-9-7-6-8-10-25;1-19(2)11-14-29(13-6-16-31-5)24(30)21-9-7-20(8-10-21)23-22(17-26-27-23)18-28(4)15-12-25-3;1-7-8-13-25(5)16-21-14-23-24-22(21)20-11-9-19(10-12-20)18(4)26(6)15-17(2)3;1-3-4-9-20(2)11-13-10-18-19-14(13)12-5-7-15(16,17)8-6-12;1-3-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19)8-6-12/h6-10,20,22,24H,4-5,11-19,21H2,1-3H3,(H,28,29);17,19-21,25H,6-16,18H2,1-5H3,(H,26,27);14,17,19-20H,4,7-13,15-16H2,1-3,5-6H3,(H,23,24);10,12H,3-9,11H2,1-2H3,(H,18,19);10,12,14,19H,3-9,11H2,1-2H3,(H,16,17).
What are the key properties of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1817.69 g/mol, XLogP of 19.47, 50 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;N-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-3-methoxy-N-(2-phenoxyethyl)propanamide;N-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-(3-methoxypropyl)-N-(3-methylbutyl)-4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide;N-methyl-N-[[5-[4-[1-[methyl(2-methylpropyl)amino]ethenyl]cyclohexyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158498899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).