5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid

C11H11ClN2O2S — CID 42879169

IUPAC5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)cc1-c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2O2S/c1-2-5-14-8(6-7(13-14)11(15)16)9-3-4-10(12)17-9/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyONTPRLAZQXEPLU-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.37
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid

5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid (PubChem CID 42879169) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid
PubChem CID42879169
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)cc1-c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2O2S/c1-2-5-14-8(6-7(13-14)11(15)16)9-3-4-10(12)17-9/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyONTPRLAZQXEPLU-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid (CID 42879169) is 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid is CCCn1nc(C(=O)O)cc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid?
The InChIKey is ONTPRLAZQXEPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-2-5-14-8(6-7(13-14)11(15)16)9-3-4-10(12)17-9/h3-4,6H,2,5H2,1H3,(H,15,16).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid has a molecular weight of 270.74 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 5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid is sourced from PubChem (CID 42879169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).