1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid

C14H10ClFN2O2S — CID 79130721

IUPAC1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCCc1nn(-c2ccc(Cl)c(F)c2)c2sc(C(=O)O)cc12
InChIInChI=1S/C14H10ClFN2O2S/c1-2-11-8-6-12(14(19)20)21-13(8)18(17-11)7-3-4-9(15)10(16)5-7/h3-6H,2H2,1H3,(H,19,20)
InChIKeyRVRAFDUUKKZHMR-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.14
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid

1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 79130721) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID79130721
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCCc1nn(-c2ccc(Cl)c(F)c2)c2sc(C(=O)O)cc12
InChIInChI=1S/C14H10ClFN2O2S/c1-2-11-8-6-12(14(19)20)21-13(8)18(17-11)7-3-4-9(15)10(16)5-7/h3-6H,2H2,1H3,(H,19,20)
InChIKeyRVRAFDUUKKZHMR-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid (CID 79130721) is 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid is CCc1nn(-c2ccc(Cl)c(F)c2)c2sc(C(=O)O)cc12.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is RVRAFDUUKKZHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c1-2-11-8-6-12(14(19)20)21-13(8)18(17-11)7-3-4-9(15)10(16)5-7/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid?
1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 324.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 79130721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).