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

C15H14Cl2N4S — CID 19762661

IUPAC3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(Cl)c(Cl)c2)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H14Cl2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3
InChIKeyJMFARSKVYYQIAU-UHFFFAOYSA-N
MW353.28 g/mol
LogP4.78
Rot. Bonds4

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

3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (PubChem CID 19762661) has the molecular formula C15H14Cl2N4S and a molecular weight of 353.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
PubChem CID19762661
Molecular FormulaC15H14Cl2N4S
Molecular Weight353.28 g/mol
Exact Mass352.03
IUPAC Name3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(Cl)c(Cl)c2)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H14Cl2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3
InChIKeyJMFARSKVYYQIAU-UHFFFAOYSA-N
XLogP4.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 54.78
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)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (CID 19762661) is 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is CCn1nc(-c2ccc(Cl)c(Cl)c2)c(-n2ccnc2)c1SC.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The InChIKey is JMFARSKVYYQIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole has a molecular weight of 353.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is sourced from PubChem (CID 19762661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).