1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid

C14H9FN2O2S — CID 62089621

IUPAC1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)nc1-c1ccsc1
InChIInChI=1S/C14H9FN2O2S/c15-10-1-3-11(4-2-10)17-7-12(14(18)19)13(16-17)9-5-6-20-8-9/h1-8H,(H,18,19)
InChIKeyDVRVSJSPEBPJNX-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid

1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid (PubChem CID 62089621) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid
PubChem CID62089621
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)nc1-c1ccsc1
InChIInChI=1S/C14H9FN2O2S/c15-10-1-3-11(4-2-10)17-7-12(14(18)19)13(16-17)9-5-6-20-8-9/h1-8H,(H,18,19)
InChIKeyDVRVSJSPEBPJNX-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid (CID 62089621) is 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2)nc1-c1ccsc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid?
The InChIKey is DVRVSJSPEBPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-10-1-3-11(4-2-10)17-7-12(14(18)19)13(16-17)9-5-6-20-8-9/h1-8H,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 62089621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).