2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C19H12FN3O2S — CID 44611763

IUPAC2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c(F)c2-c2ccccc2)n1
InChIInChI=1S/C19H12FN3O2S/c20-15-16(12-7-3-1-4-8-12)22-23(17(15)13-9-5-2-6-10-13)19-21-14(11-26-19)18(24)25/h1-11H,(H,24,25)
InChIKeyKXZZSEBZBQVAID-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 44611763) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID44611763
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c(F)c2-c2ccccc2)n1
InChIInChI=1S/C19H12FN3O2S/c20-15-16(12-7-3-1-4-8-12)22-23(17(15)13-9-5-2-6-10-13)19-21-14(11-26-19)18(24)25/h1-11H,(H,24,25)
InChIKeyKXZZSEBZBQVAID-UHFFFAOYSA-N
XLogP4.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 44611763) is 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c(F)c2-c2ccccc2)n1.
What is the InChIKey of 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KXZZSEBZBQVAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-15-16(12-7-3-1-4-8-12)22-23(17(15)13-9-5-2-6-10-13)19-21-14(11-26-19)18(24)25/h1-11H,(H,24,25).
What are the key properties of 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 44611763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).