1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide

C134H107FN14O9S5 — CID 159839305

IUPAC1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide
SMILESC=C(O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cnccc3F)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3ccc(C)o3)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cn(C)nc3C)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccoc3)cc(-c3ccc4ccccc4c3)c2)C1.CC(=O)CSC1=NN=C(c2cc(NC(=O)c3ccco3)cc(-c3ccc4ccccc4c3)c2)C1
InChIInChI=1S/C27H20FN3OS.C27H24N4OS.C27H21N3O3S.C27H22N2O2S.C26H20N2O2S/c1-17(32)16-33-27-14-26(30-31-27)23-12-21(11-22(13-23)24-15-29-9-8-25(24)28)20-7-6-18-4-2-3-5-19(18)10-20;1-17(32)16-33-27-14-26(28-29-27)24-12-22(11-23(13-24)25-15-31(3)30-18(25)2)21-9-8-19-6-4-5-7-20(19)10-21;1-17(31)16-34-26-15-24(29-30-26)22-12-21(20-9-8-18-5-2-3-6-19(18)11-20)13-23(14-22)28-27(32)25-7-4-10-33-25;1-17(30)16-32-27-15-25(28-29-27)23-12-22(13-24(14-23)26-10-7-18(2)31-26)21-9-8-19-5-3-4-6-20(19)11-21;1-17(29)16-31-26-14-25(27-28-26)24-12-22(11-23(13-24)21-8-9-30-15-21)20-7-6-18-4-2-3-5-19(18)10-20/h2-13,15,32H,1,14,16H2;4-13,15H,14,16H2,1-3H3;2-14H,15-16H2,1H3,(H,28,32);3-14H,15-16H2,1-2H3;2-13,15H,14,16H2,1H3
InChIKeyNOMCMBKYXGEUFO-UHFFFAOYSA-N
MW2236.75 g/mol
LogP32.74
Rot. Bonds26

About 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide

1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 159839305) has the molecular formula C134H107FN14O9S5 and a molecular weight of 2236.75 g/mol. Its IUPAC name is 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID159839305
Molecular FormulaC134H107FN14O9S5
Molecular Weight2236.75 g/mol
Exact Mass2234.69
IUPAC Name1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide
SMILESC=C(O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cnccc3F)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3ccc(C)o3)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cn(C)nc3C)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccoc3)cc(-c3ccc4ccccc4c3)c2)C1.CC(=O)CSC1=NN=C(c2cc(NC(=O)c3ccco3)cc(-c3ccc4ccccc4c3)c2)C1
InChIInChI=1S/C27H20FN3OS.C27H24N4OS.C27H21N3O3S.C27H22N2O2S.C26H20N2O2S/c1-17(32)16-33-27-14-26(30-31-27)23-12-21(11-22(13-23)24-15-29-9-8-25(24)28)20-7-6-18-4-2-3-5-19(18)10-20;1-17(32)16-33-27-14-26(28-29-27)24-12-22(11-23(13-24)25-15-31(3)30-18(25)2)21-9-8-19-6-4-5-7-20(19)10-21;1-17(31)16-34-26-15-24(29-30-26)22-12-21(20-9-8-18-5-2-3-6-19(18)11-20)13-23(14-22)28-27(32)25-7-4-10-33-25;1-17(30)16-32-27-15-25(28-29-27)23-12-22(13-24(14-23)26-10-7-18(2)31-26)21-9-8-19-5-3-4-6-20(19)11-21;1-17(29)16-31-26-14-25(27-28-26)24-12-22(11-23(13-24)21-8-9-30-15-21)20-7-6-18-4-2-3-5-19(18)10-20/h2-13,15,32H,1,14,16H2;4-13,15H,14,16H2,1-3H3;2-14H,15-16H2,1H3,(H,28,32);3-14H,15-16H2,1-2H3;2-13,15H,14,16H2,1H3
InChIKeyNOMCMBKYXGEUFO-UHFFFAOYSA-N
XLogP32.74
TPSA311.34 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.75
LogP ≤ 532.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide (CID 159839305) is 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide is C=C(O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cnccc3F)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3ccc(C)o3)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cn(C)nc3C)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccoc3)cc(-c3ccc4ccccc4c3)c2)C1.CC(=O)CSC1=NN=C(c2cc(NC(=O)c3ccco3)cc(-c3ccc4ccccc4c3)c2)C1.
What is the InChIKey of 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is NOMCMBKYXGEUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3OS.C27H24N4OS.C27H21N3O3S.C27H22N2O2S.C26H20N2O2S/c1-17(32)16-33-27-14-26(30-31-27)23-12-21(11-22(13-23)24-15-29-9-8-25(24)28)20-7-6-18-4-2-3-5-19(18)10-20;1-17(32)16-33-27-14-26(28-29-27)24-12-22(11-23(13-24)25-15-31(3)30-18(25)2)21-9-8-19-6-4-5-7-20(19)10-21;1-17(31)16-34-26-15-24(29-30-26)22-12-21(20-9-8-18-5-2-3-6-19(18)11-20)13-23(14-22)28-27(32)25-7-4-10-33-25;1-17(30)16-32-27-15-25(28-29-27)23-12-22(13-24(14-23)26-10-7-18(2)31-26)21-9-8-19-5-3-4-6-20(19)11-21;1-17(29)16-31-26-14-25(27-28-26)24-12-22(11-23(13-24)21-8-9-30-15-21)20-7-6-18-4-2-3-5-19(18)10-20/h2-13,15,32H,1,14,16H2;4-13,15H,14,16H2,1-3H3;2-14H,15-16H2,1H3,(H,28,32);3-14H,15-16H2,1-2H3;2-13,15H,14,16H2,1H3.
What are the key properties of 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide?
1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 2236.75 g/mol, XLogP of 32.74, 26 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[3-(furan-3-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(5-methylfuran-2-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;N-[3-naphthalen-2-yl-5-[5-(2-oxopropylsulfanyl)-4H-pyrazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 159839305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).