1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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

C107H85FN12O7S4 — CID 160665894

IUPAC1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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
SMILESCC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cn(C)nc3C)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cnccc3F)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.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(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/h2-13,15H,14,16H2,1H3;4-13,15H,14,16H2,1-3H3;2-14H,15-16H2,1H3,(H,28,32);2-13,15H,14,16H2,1H3
InChIKeyRMHFDALGBKCOBI-UHFFFAOYSA-N
MW1798.20 g/mol
LogP25.36
Rot. Bonds21

About 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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 160665894) has the molecular formula C107H85FN12O7S4 and a molecular weight of 1798.20 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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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 CID160665894
Molecular FormulaC107H85FN12O7S4
Molecular Weight1798.20 g/mol
Exact Mass1796.55
IUPAC Name1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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
SMILESCC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cn(C)nc3C)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cnccc3F)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.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(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/h2-13,15H,14,16H2,1H3;4-13,15H,14,16H2,1-3H3;2-14H,15-16H2,1H3,(H,28,32);2-13,15H,14,16H2,1H3
InChIKeyRMHFDALGBKCOBI-UHFFFAOYSA-N
XLogP25.36
TPSA253.25 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001798.20
LogP ≤ 525.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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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Launch Full Analysis

Related Compounds

1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[3-(5,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[3-(5-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
CID 157630159
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
1-[[5-[3-(3,5-dimethyl-1,2-oxazol-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;3-[[5-[3-(6-methoxy-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;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 160917863
bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone
CID 161406449
N-[(5-tert-butylfuran-2-yl)methyl]pyridin-4-amine;1-tert-butyl-2-[(3-methylphenoxy)methyl]benzene;1-tert-butyl-4-[(3-methylphenoxy)methyl]benzene;1-[(2-tert-butylphenyl)methoxy]naphthalene;1-tert-butyl-4-propylbenzene;5-tert-butyl-N-pyridin-4-ylfuran-2-carboxamide;2-tert-butylsulfanylethylbenzene;tert-butylsulfanylmethylbenzene;4,4-dimethylpentylbenzene;N-[[5-(2-methylpropyl)furan-2-yl]methyl]aniline;5-(2-methylpropyl)-N-phenylfuran-2-carboxamide
CID 161961999
N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)furan-2-carboxamide;(2S)-N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;(2R)-N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-pyridin-3-ylacetamide;N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 162175247
N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide
CID 18830603

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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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 160665894) is 1-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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 CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cn(C)nc3C)c2)C1.CC(=O)CSC1=NN=C(c2cc(-c3ccc4ccccc4c3)cc(-c3cnccc3F)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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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 RMHFDALGBKCOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3OS.C27H24N4OS.C27H21N3O3S.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(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/h2-13,15H,14,16H2,1H3;4-13,15H,14,16H2,1-3H3;2-14H,15-16H2,1H3,(H,28,32);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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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 1798.20 g/mol, XLogP of 25.36, 21 rotatable bonds, 1 hydrogen bond donors, and 22 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;1-[[5-[3-(4-fluoro-3-pyridinyl)-5-naphthalen-2-ylphenyl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[3-(furan-3-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 160665894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).