3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole

C14H12Cl2N4S — CID 19762655

IUPAC3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1c(-n2ccnc2)c(-c2ccc(Cl)c(Cl)c2)nn1C
InChIInChI=1S/C14H12Cl2N4S/c1-19-14(21-2)13(20-6-5-17-8-20)12(18-19)9-3-4-10(15)11(16)7-9/h3-8H,1-2H3
InChIKeyGDGREGPAQIAJJE-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.30
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole

3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole (PubChem CID 19762655) has the molecular formula C14H12Cl2N4S and a molecular weight of 339.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole
PubChem CID19762655
Molecular FormulaC14H12Cl2N4S
Molecular Weight339.25 g/mol
Exact Mass338.02
IUPAC Name3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1c(-n2ccnc2)c(-c2ccc(Cl)c(Cl)c2)nn1C
InChIInChI=1S/C14H12Cl2N4S/c1-19-14(21-2)13(20-6-5-17-8-20)12(18-19)9-3-4-10(15)11(16)7-9/h3-8H,1-2H3
InChIKeyGDGREGPAQIAJJE-UHFFFAOYSA-N
XLogP4.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole (CID 19762655) is 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole is CSc1c(-n2ccnc2)c(-c2ccc(Cl)c(Cl)c2)nn1C.
What is the InChIKey of 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole?
The InChIKey is GDGREGPAQIAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4S/c1-19-14(21-2)13(20-6-5-17-8-20)12(18-19)9-3-4-10(15)11(16)7-9/h3-8H,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole?
3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole has a molecular weight of 339.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 19762655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).