2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

C20H14FN3O2S — CID 59179287

IUPAC2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2S/c1-12-17(13-5-3-2-4-6-13)23-24(20-22-16(11-27-20)19(25)26)18(12)14-7-9-15(21)10-8-14/h2-11H,1H3,(H,25,26)
InChIKeyRGJQFLHKCAQMID-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.81
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179287) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179287
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2S/c1-12-17(13-5-3-2-4-6-13)23-24(20-22-16(11-27-20)19(25)26)18(12)14-7-9-15(21)10-8-14/h2-11H,1H3,(H,25,26)
InChIKeyRGJQFLHKCAQMID-UHFFFAOYSA-N
XLogP4.81
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179287) is 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RGJQFLHKCAQMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-17(13-5-3-2-4-6-13)23-24(20-22-16(11-27-20)19(25)26)18(12)14-7-9-15(21)10-8-14/h2-11H,1H3,(H,25,26).
What are the key properties of 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).