3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid

C10H10N2O2S — CID 39096230

IUPAC3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C10H10N2O2S/c13-9(14)4-3-7-6-11-12-10(7)8-2-1-5-15-8/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
InChIKeyMNRLWKCHNCBXDI-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.16
Rot. Bonds4

About 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid

3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 39096230) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
PubChem CID39096230
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C10H10N2O2S/c13-9(14)4-3-7-6-11-12-10(7)8-2-1-5-15-8/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
InChIKeyMNRLWKCHNCBXDI-UHFFFAOYSA-N
XLogP2.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid (CID 39096230) is 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid is O=C(O)CCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is MNRLWKCHNCBXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-9(14)4-3-7-6-11-12-10(7)8-2-1-5-15-8/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14).
What are the key properties of 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid?
3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 222.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 39096230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).