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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Related Compounds

1-[(4-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
CID 156757021
3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
CID 19762679
3-(3,4-dichlorophenyl)-5-imidazol-1-yl-2-methylpyridine;hydrochloride
CID 23445144
5-(4-bromophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole
CID 171976655
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
CID 70471993
1-(3-chloro-4-methylphenyl)-4-imidazol-1-yl-3-methylsulfanyl-5-(2,3,4-trichlorophenyl)pyrazole
CID 156757006
4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
CID 153159520
4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane
CID 142040016
2,4-dichloro-5-(4-chloro-1-methyl-5-methylsulfanylpyrazol-3-yl)benzenethiol
CID 15671973
1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole
CID 21481637
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464

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).