1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

C14H8F2N2O2S — CID 43141368

IUPAC1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)nc1-c1cccs1
InChIInChI=1S/C14H8F2N2O2S/c15-8-3-4-11(10(16)6-8)18-7-9(14(19)20)13(17-18)12-2-1-5-21-12/h1-7H,(H,19,20)
InChIKeyNOAWFYCDHDMKKR-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.58
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 43141368) has the molecular formula C14H8F2N2O2S and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID43141368
Molecular FormulaC14H8F2N2O2S
Molecular Weight306.29 g/mol
Exact Mass306.03
IUPAC Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)nc1-c1cccs1
InChIInChI=1S/C14H8F2N2O2S/c15-8-3-4-11(10(16)6-8)18-7-9(14(19)20)13(17-18)12-2-1-5-21-12/h1-7H,(H,19,20)
InChIKeyNOAWFYCDHDMKKR-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 43141368) is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2F)nc1-c1cccs1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is NOAWFYCDHDMKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2S/c15-8-3-4-11(10(16)6-8)18-7-9(14(19)20)13(17-18)12-2-1-5-21-12/h1-7H,(H,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 306.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43141368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).