N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane

C125H123F5N24O10S2 — CID 160724642

About N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane (PubChem CID 160724642) has the molecular formula C125H123F5N24O10S2 and a molecular weight of 2280.64 g/mol. Its IUPAC name is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane.

Molecular Properties

• Compound Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane
• PubChem CID: 160724642
• Molecular Formula: C125H123F5N24O10S2
• Molecular Weight: 2280.64 g/mol
• Exact Mass: 2278.92
• IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane
• SMILES: C#CC(CC)OCn1cc(F)c(-n2cnc3ccccc32)n1.CC(=O)c1cncc(-n2ccc(-c3cnccn3)n2)c1.CCCOCn1ccc(-c2cc(C)nc(N[C@@H](C)c3ccc(F)cc3)c2)n1.Cc1cc(C(=O)N(C)c2ccccc2-c2nn(COCc3ccccc3)cc2C)cc(C(F)(F)F)c1.Cc1ccc(-n2nc(-c3cnc4ccccc4c3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.O=C=O.S.S.c1ccc2c(-n3cccn3)ccnc2c1
• InChI: InChI=1S/C33H33N5O3.C28H26F3N3O2.C21H25FN4O.C16H15FN4O.C14H11N5O.C12H9N3.CO2.2H2S/c1-22-10-14-26(15-11-22)38-27(20-30(37-38)25-19-24-6-2-4-8-29(24)35-21-25)7-3-5-9-32(40)36-31(33(34)41)18-23-12-16-28(39)17-13-23;1-19-13-22(15-23(14-19)28(29,30)31)27(35)33(3)25-12-8-7-11-24(25)26-20(2)16-34(32-26)18-36-17-21-9-5-4-6-10-21;1-4-11-27-14-26-10-9-20(25-26)18-12-15(2)23-21(13-18)24-16(3)17-5-7-19(22)8-6-17;1-3-12(4-2)22-11-20-9-13(17)16(19-20)21-10-18-14-7-5-6-8-15(14)21;1-10(20)11-6-12(8-16-7-11)19-5-2-13(18-19)14-9-15-3-4-17-14;1-2-5-11-10(4-1)12(6-8-13-11)15-9-3-7-14-15;2-1-3;;/h2,4,6,8,10-17,19-21,31,39H,3,5,7,9,18H2,1H3,(H2,34,41)(H,36,40);4-16H,17-18H2,1-3H3;5-10,12-13,16H,4,11,14H2,1-3H3,(H,23,24);1,5-10,12H,4,11H2,2H3;2-9H,1H3;1-9H;;2*1H2/t;;16-;;;;;;/m..0....../s1
• InChIKey: RTNWHSWZNAJZIY-OEYVHEEVSA-N
• XLogP: 23.35
• TPSA: 405.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.64
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane?

The IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane (CID 160724642) is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane.

What is the SMILES notation for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane?

The canonical SMILES for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane is C#CC(CC)OCn1cc(F)c(-n2cnc3ccccc32)n1.CC(=O)c1cncc(-n2ccc(-c3cnccn3)n2)c1.CCCOCn1ccc(-c2cc(C)nc(N[C@@H](C)c3ccc(F)cc3)c2)n1.Cc1cc(C(=O)N(C)c2ccccc2-c2nn(COCc3ccccc3)cc2C)cc(C(F)(F)F)c1.Cc1ccc(-n2nc(-c3cnc4ccccc4c3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.O=C=O.S.S.c1ccc2c(-n3cccn3)ccnc2c1.

What is the InChIKey of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane?

The InChIKey is RTNWHSWZNAJZIY-OEYVHEEVSA-N. The full InChI is InChI=1S/C33H33N5O3.C28H26F3N3O2.C21H25FN4O.C16H15FN4O.C14H11N5O.C12H9N3.CO2.2H2S/c1-22-10-14-26(15-11-22)38-27(20-30(37-38)25-19-24-6-2-4-8-29(24)35-21-25)7-3-5-9-32(40)36-31(33(34)41)18-23-12-16-28(39)17-13-23;1-19-13-22(15-23(14-19)28(29,30)31)27(35)33(3)25-12-8-7-11-24(25)26-20(2)16-34(32-26)18-36-17-21-9-5-4-6-10-21;1-4-11-27-14-26-10-9-20(25-26)18-12-15(2)23-21(13-18)24-16(3)17-5-7-19(22)8-6-17;1-3-12(4-2)22-11-20-9-13(17)16(19-20)21-10-18-14-7-5-6-8-15(14)21;1-10(20)11-6-12(8-16-7-11)19-5-2-13(18-19)14-9-15-3-4-17-14;1-2-5-11-10(4-1)12(6-8-13-11)15-9-3-7-14-15;2-1-3;;/h2,4,6,8,10-17,19-21,31,39H,3,5,7,9,18H2,1H3,(H2,34,41)(H,36,40);4-16H,17-18H2,1-3H3;5-10,12-13,16H,4,11,14H2,1-3H3,(H,23,24);1,5-10,12H,4,11H2,2H3;2-9H,1H3;1-9H;;2*1H2/t;;16-;;;;;;/m..0....../s1.

What are the key properties of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane?

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane has a molecular weight of 2280.64 g/mol, XLogP of 23.35, 35 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-methylphenyl)-3-quinolin-3-ylpyrazol-5-yl]pentanamide;carbon dioxide;N,3-dimethyl-N-[2-[4-methyl-1-(phenylmethoxymethyl)pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide;1-[4-fluoro-1-(pent-1-yn-3-yloxymethyl)pyrazol-3-yl]benzimidazole;N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methyl-4-[1-(propoxymethyl)pyrazol-3-yl]pyridin-2-amine;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinoline;sulfane is sourced from PubChem (CID 160724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).