3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole

C15H14F2N4S — CID 19762672

IUPAC3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(F)cc2F)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H14F2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)11-5-4-10(16)8-12(11)17/h4-9H,3H2,1-2H3
InChIKeyBANZSFYRNMDUIQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.76
Rot. Bonds4

About 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole

3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (PubChem CID 19762672) has the molecular formula C15H14F2N4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
PubChem CID19762672
Molecular FormulaC15H14F2N4S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(F)cc2F)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H14F2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)11-5-4-10(16)8-12(11)17/h4-9H,3H2,1-2H3
InChIKeyBANZSFYRNMDUIQ-UHFFFAOYSA-N
XLogP3.76
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (CID 19762672) is 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is CCn1nc(-c2ccc(F)cc2F)c(-n2ccnc2)c1SC.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The InChIKey is BANZSFYRNMDUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)11-5-4-10(16)8-12(11)17/h4-9H,3H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole has a molecular weight of 320.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is sourced from PubChem (CID 19762672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).