1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid

C14H10N2O2S — CID 55032666

IUPAC1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1ccsc1
InChIInChI=1S/C14H10N2O2S/c17-14(18)12-8-16(11-4-2-1-3-5-11)15-13(12)10-6-7-19-9-10/h1-9H,(H,17,18)
InChIKeyYDFWJUUOESUNIH-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.30
Rot. Bonds3

About 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid

1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid (PubChem CID 55032666) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid
PubChem CID55032666
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1ccsc1
InChIInChI=1S/C14H10N2O2S/c17-14(18)12-8-16(11-4-2-1-3-5-11)15-13(12)10-6-7-19-9-10/h1-9H,(H,17,18)
InChIKeyYDFWJUUOESUNIH-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid (CID 55032666) is 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2)nc1-c1ccsc1.
What is the InChIKey of 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid?
The InChIKey is YDFWJUUOESUNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-14(18)12-8-16(11-4-2-1-3-5-11)15-13(12)10-6-7-19-9-10/h1-9H,(H,17,18).
What are the key properties of 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid?
1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 55032666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).