2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C18H13ClFN3OS — CID 57396641

IUPAC2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccc(F)cc3)CC2c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H13ClFN3OS/c19-13-5-1-12(2-6-13)16-9-15(11-3-7-14(20)8-4-11)22-23(16)18-21-17(24)10-25-18/h1-8,16H,9-10H2
InChIKeyDFNFUUKHJCBGNQ-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.26
Rot. Bonds2

About 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 57396641) has the molecular formula C18H13ClFN3OS and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID57396641
Molecular FormulaC18H13ClFN3OS
Molecular Weight373.84 g/mol
Exact Mass373.05
IUPAC Name2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccc(F)cc3)CC2c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H13ClFN3OS/c19-13-5-1-12(2-6-13)16-9-15(11-3-7-14(20)8-4-11)22-23(16)18-21-17(24)10-25-18/h1-8,16H,9-10H2
InChIKeyDFNFUUKHJCBGNQ-UHFFFAOYSA-N
XLogP4.26
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 57396641) is 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is O=C1CSC(N2N=C(c3ccc(F)cc3)CC2c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is DFNFUUKHJCBGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3OS/c19-13-5-1-12(2-6-13)16-9-15(11-3-7-14(20)8-4-11)22-23(16)18-21-17(24)10-25-18/h1-8,16H,9-10H2.
What are the key properties of 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 373.84 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 57396641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).