3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole

C16H16F2N4S — CID 19762654

IUPAC3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole
SMILESCCCn1nc(-c2ccc(F)c(F)c2)c(-n2ccnc2)c1SC
InChIInChI=1S/C16H16F2N4S/c1-3-7-22-16(23-2)15(21-8-6-19-10-21)14(20-22)11-4-5-12(17)13(18)9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKeyWESANJMFOYGOHF-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.15
Rot. Bonds5

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

3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole (PubChem CID 19762654) has the molecular formula C16H16F2N4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole
PubChem CID19762654
Molecular FormulaC16H16F2N4S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole
SMILESCCCn1nc(-c2ccc(F)c(F)c2)c(-n2ccnc2)c1SC
InChIInChI=1S/C16H16F2N4S/c1-3-7-22-16(23-2)15(21-8-6-19-10-21)14(20-22)11-4-5-12(17)13(18)9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKeyWESANJMFOYGOHF-UHFFFAOYSA-N
XLogP4.15
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
The IUPAC name of 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole (CID 19762654) is 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole is CCCn1nc(-c2ccc(F)c(F)c2)c(-n2ccnc2)c1SC.
What is the InChIKey of 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
The InChIKey is WESANJMFOYGOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4S/c1-3-7-22-16(23-2)15(21-8-6-19-10-21)14(20-22)11-4-5-12(17)13(18)9-11/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole?
3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole has a molecular weight of 334.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-4-imidazol-1-yl-5-methylsulfanyl-1-propylpyrazole is sourced from PubChem (CID 19762654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).