2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid

C12H14N2O2S — CID 146107218

IUPAC2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid
SMILESCCn1nccc1-c1ccc(C(C)C(=O)O)s1
InChIInChI=1S/C12H14N2O2S/c1-3-14-9(6-7-13-14)11-5-4-10(17-11)8(2)12(15)16/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeySKHGKASGPYYZOH-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.82
Rot. Bonds4

About 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid

2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid (PubChem CID 146107218) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid
PubChem CID146107218
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid
SMILESCCn1nccc1-c1ccc(C(C)C(=O)O)s1
InChIInChI=1S/C12H14N2O2S/c1-3-14-9(6-7-13-14)11-5-4-10(17-11)8(2)12(15)16/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeySKHGKASGPYYZOH-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid?
The IUPAC name of 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid (CID 146107218) is 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid?
The canonical SMILES for 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid is CCn1nccc1-c1ccc(C(C)C(=O)O)s1.
What is the InChIKey of 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid?
The InChIKey is SKHGKASGPYYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-14-9(6-7-13-14)11-5-4-10(17-11)8(2)12(15)16/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid?
2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethylpyrazol-3-yl)thiophen-2-yl]propanoic acid is sourced from PubChem (CID 146107218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).