2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid

C15H11FN2O2S — CID 69361336

IUPAC2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(-c2ccccc2F)c1-c1cccs1
InChIInChI=1S/C15H11FN2O2S/c16-11-4-1-2-5-12(11)18-15(13-6-3-7-21-13)10(9-17-18)8-14(19)20/h1-7,9H,8H2,(H,19,20)
InChIKeyQMGBQHBPSWNFDW-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.37
Rot. Bonds4

About 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid

2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid (PubChem CID 69361336) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid
PubChem CID69361336
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(-c2ccccc2F)c1-c1cccs1
InChIInChI=1S/C15H11FN2O2S/c16-11-4-1-2-5-12(11)18-15(13-6-3-7-21-13)10(9-17-18)8-14(19)20/h1-7,9H,8H2,(H,19,20)
InChIKeyQMGBQHBPSWNFDW-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid (CID 69361336) is 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid is O=C(O)Cc1cnn(-c2ccccc2F)c1-c1cccs1.
What is the InChIKey of 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid?
The InChIKey is QMGBQHBPSWNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-4-1-2-5-12(11)18-15(13-6-3-7-21-13)10(9-17-18)8-14(19)20/h1-7,9H,8H2,(H,19,20).
What are the key properties of 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid?
2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-5-thiophen-2-ylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 69361336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).