2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one

C23H22FN3O2S — CID 15985531

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1CC1CCCO1
InChIInChI=1S/C23H22FN3O2S/c24-17-10-8-16(9-11-17)22-20(14-27(25-22)18-5-2-1-3-6-18)23-26(21(28)15-30-23)13-19-7-4-12-29-19/h1-3,5-6,8-11,14,19,23H,4,7,12-13,15H2
InChIKeyQNNIMJYIRRDQKG-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.43
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 15985531) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID15985531
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1CC1CCCO1
InChIInChI=1S/C23H22FN3O2S/c24-17-10-8-16(9-11-17)22-20(14-27(25-22)18-5-2-1-3-6-18)23-26(21(28)15-30-23)13-19-7-4-12-29-19/h1-3,5-6,8-11,14,19,23H,4,7,12-13,15H2
InChIKeyQNNIMJYIRRDQKG-UHFFFAOYSA-N
XLogP4.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 15985531) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1CC1CCCO1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is QNNIMJYIRRDQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c24-17-10-8-16(9-11-17)22-20(14-27(25-22)18-5-2-1-3-6-18)23-26(21(28)15-30-23)13-19-7-4-12-29-19/h1-3,5-6,8-11,14,19,23H,4,7,12-13,15H2.
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 423.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 15985531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).