ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine

C46H38N12 — CID 144833702

IUPACethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
SMILESCC.c1cc(-c2cc(-c3ccncc3)[nH]n2)cc(-c2cc(-c3ccncc3)[nH]n2)c1.c1cncc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/2C22H16N6.C2H6/c1-4-15(19-11-21(27-25-19)17-6-2-8-23-13-17)10-16(5-1)20-12-22(28-26-20)18-7-3-9-24-14-18;1-2-17(21-13-19(25-27-21)15-4-8-23-9-5-15)12-18(3-1)22-14-20(26-28-22)16-6-10-24-11-7-16;1-2/h2*1-14H,(H,25,27)(H,26,28);1-2H3
InChIKeyKKEYKJOHYMABDA-UHFFFAOYSA-N
MW758.89 g/mol
LogP10.21
Rot. Bonds8

About ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine

ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine (PubChem CID 144833702) has the molecular formula C46H38N12 and a molecular weight of 758.89 g/mol. Its IUPAC name is ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Nameethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
PubChem CID144833702
Molecular FormulaC46H38N12
Molecular Weight758.89 g/mol
Exact Mass758.33
IUPAC Nameethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
SMILESCC.c1cc(-c2cc(-c3ccncc3)[nH]n2)cc(-c2cc(-c3ccncc3)[nH]n2)c1.c1cncc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/2C22H16N6.C2H6/c1-4-15(19-11-21(27-25-19)17-6-2-8-23-13-17)10-16(5-1)20-12-22(28-26-20)18-7-3-9-24-14-18;1-2-17(21-13-19(25-27-21)15-4-8-23-9-5-15)12-18(3-1)22-14-20(26-28-22)16-6-10-24-11-7-16;1-2/h2*1-14H,(H,25,27)(H,26,28);1-2H3
InChIKeyKKEYKJOHYMABDA-UHFFFAOYSA-N
XLogP10.21
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.89
LogP ≤ 510.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine with MolForge

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Related Compounds

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CID 4234
2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-21,23H-porphyrin tetrachloride
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5,10,15,20-(tetra-N-methyl-4-pyridyl)porphyrin tetraiodide
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5-(1-Hexadecylpyridin-1-ium-4-yl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetraiodide
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5,10,15-Tris(1-methylpyridin-1-ium-4-yl)-20-(1-octadecylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetraiodide
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N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137117041

Frequently Asked Questions

What is the IUPAC name of ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
The IUPAC name of ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine (CID 144833702) is ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine is CC.c1cc(-c2cc(-c3ccncc3)[nH]n2)cc(-c2cc(-c3ccncc3)[nH]n2)c1.c1cncc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)n[nH]4)c3)[nH]n2)c1.
What is the InChIKey of ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
The InChIKey is KKEYKJOHYMABDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N6.C2H6/c1-4-15(19-11-21(27-25-19)17-6-2-8-23-13-17)10-16(5-1)20-12-22(28-26-20)18-7-3-9-24-14-18;1-2-17(21-13-19(25-27-21)15-4-8-23-9-5-15)12-18(3-1)22-14-20(26-28-22)16-6-10-24-11-7-16;1-2/h2*1-14H,(H,25,27)(H,26,28);1-2H3.
What are the key properties of ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine has a molecular weight of 758.89 g/mol, XLogP of 10.21, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 144833702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).