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

C19H13ClF2N4S — CID 151958967

IUPAC1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
SMILESCSc1nn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)c1-n1ccnc1
InChIInChI=1S/C19H13ClF2N4S/c1-27-19-18(25-9-8-23-11-25)17(15-7-4-13(21)10-16(15)22)26(24-19)14-5-2-12(20)3-6-14/h2-11H,1H3
InChIKeyTYFUGNVAMDXFJU-UHFFFAOYSA-N
MW402.86 g/mol
LogP5.38
Rot. Bonds4

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

1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole (PubChem CID 151958967) has the molecular formula C19H13ClF2N4S and a molecular weight of 402.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
PubChem CID151958967
Molecular FormulaC19H13ClF2N4S
Molecular Weight402.86 g/mol
Exact Mass402.05
IUPAC Name1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
SMILESCSc1nn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)c1-n1ccnc1
InChIInChI=1S/C19H13ClF2N4S/c1-27-19-18(25-9-8-23-11-25)17(15-7-4-13(21)10-16(15)22)26(24-19)14-5-2-12(20)3-6-14/h2-11H,1H3
InChIKeyTYFUGNVAMDXFJU-UHFFFAOYSA-N
XLogP5.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.86
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole (CID 151958967) is 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole is CSc1nn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)c1-n1ccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
The InChIKey is TYFUGNVAMDXFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4S/c1-27-19-18(25-9-8-23-11-25)17(15-7-4-13(21)10-16(15)22)26(24-19)14-5-2-12(20)3-6-14/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole has a molecular weight of 402.86 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2,4-difluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole is sourced from PubChem (CID 151958967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).