3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine

C23H19Cl2N3S2 — CID 10205522

IUPAC3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine
SMILESCSc1ncccc1Cc1c(C)nn(-c2ccccc2)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H19Cl2N3S2/c1-15-21(11-16-7-6-10-26-22(16)29-2)23(28(27-15)19-8-4-3-5-9-19)30-20-13-17(24)12-18(25)14-20/h3-10,12-14H,11H2,1-2H3
InChIKeyHVMDHYHORZFSPN-UHFFFAOYSA-N
MW472.47 g/mol
LogP7.35
Rot. Bonds6

About 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine

3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine (PubChem CID 10205522) has the molecular formula C23H19Cl2N3S2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine.

Molecular Properties

Compound Name3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine
PubChem CID10205522
Molecular FormulaC23H19Cl2N3S2
Molecular Weight472.47 g/mol
Exact Mass471.04
IUPAC Name3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine
SMILESCSc1ncccc1Cc1c(C)nn(-c2ccccc2)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H19Cl2N3S2/c1-15-21(11-16-7-6-10-26-22(16)29-2)23(28(27-15)19-8-4-3-5-9-19)30-20-13-17(24)12-18(25)14-20/h3-10,12-14H,11H2,1-2H3
InChIKeyHVMDHYHORZFSPN-UHFFFAOYSA-N
XLogP7.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine?
The IUPAC name of 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine (CID 10205522) is 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine.
What is the SMILES notation for 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine?
The canonical SMILES for 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine is CSc1ncccc1Cc1c(C)nn(-c2ccccc2)c1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine?
The InChIKey is HVMDHYHORZFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3S2/c1-15-21(11-16-7-6-10-26-22(16)29-2)23(28(27-15)19-8-4-3-5-9-19)30-20-13-17(24)12-18(25)14-20/h3-10,12-14H,11H2,1-2H3.
What are the key properties of 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine?
3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine has a molecular weight of 472.47 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylpyridine is sourced from PubChem (CID 10205522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).