3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole

C16H17FN4S — CID 19762683

IUPAC3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole
SMILESCCCn1nc(-c2ccc(F)cc2)c(-n2ccnc2)c1SC
InChIInChI=1S/C16H17FN4S/c1-3-9-21-16(22-2)15(20-10-8-18-11-20)14(19-21)12-4-6-13(17)7-5-12/h4-8,10-11H,3,9H2,1-2H3
InChIKeyZRPIQURUGDMVFT-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.01
Rot. Bonds5

About 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole

3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole (PubChem CID 19762683) has the molecular formula C16H17FN4S and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole
PubChem CID19762683
Molecular FormulaC16H17FN4S
Molecular Weight316.41 g/mol
Exact Mass316.12
IUPAC Name3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole
SMILESCCCn1nc(-c2ccc(F)cc2)c(-n2ccnc2)c1SC
InChIInChI=1S/C16H17FN4S/c1-3-9-21-16(22-2)15(20-10-8-18-11-20)14(19-21)12-4-6-13(17)7-5-12/h4-8,10-11H,3,9H2,1-2H3
InChIKeyZRPIQURUGDMVFT-UHFFFAOYSA-N
XLogP4.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole (CID 19762683) is 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole is CCCn1nc(-c2ccc(F)cc2)c(-n2ccnc2)c1SC.
What is the InChIKey of 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
The InChIKey is ZRPIQURUGDMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4S/c1-3-9-21-16(22-2)15(20-10-8-18-11-20)14(19-21)12-4-6-13(17)7-5-12/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole has a molecular weight of 316.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole is sourced from PubChem (CID 19762683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).