6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one

C23H25FN2O3S — CID 19900526

IUPAC6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one
SMILESCC(C)c1nn(-c2cccs2)c(-c2ccc(F)cc2)c1CCC1CC(O)CC(=O)O1
InChIInChI=1S/C23H25FN2O3S/c1-14(2)22-19(10-9-18-12-17(27)13-21(28)29-18)23(15-5-7-16(24)8-6-15)26(25-22)20-4-3-11-30-20/h3-8,11,14,17-18,27H,9-10,12-13H2,1-2H3
InChIKeyPKQHBGUGWFZSFV-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.86
Rot. Bonds6

About 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one

6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one (PubChem CID 19900526) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one
PubChem CID19900526
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one
SMILESCC(C)c1nn(-c2cccs2)c(-c2ccc(F)cc2)c1CCC1CC(O)CC(=O)O1
InChIInChI=1S/C23H25FN2O3S/c1-14(2)22-19(10-9-18-12-17(27)13-21(28)29-18)23(15-5-7-16(24)8-6-15)26(25-22)20-4-3-11-30-20/h3-8,11,14,17-18,27H,9-10,12-13H2,1-2H3
InChIKeyPKQHBGUGWFZSFV-UHFFFAOYSA-N
XLogP4.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one?
The IUPAC name of 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one (CID 19900526) is 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one is CC(C)c1nn(-c2cccs2)c(-c2ccc(F)cc2)c1CCC1CC(O)CC(=O)O1.
What is the InChIKey of 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one?
The InChIKey is PKQHBGUGWFZSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-14(2)22-19(10-9-18-12-17(27)13-21(28)29-18)23(15-5-7-16(24)8-6-15)26(25-22)20-4-3-11-30-20/h3-8,11,14,17-18,27H,9-10,12-13H2,1-2H3.
What are the key properties of 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one?
6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one has a molecular weight of 428.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 19900526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).