1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid

C13H14N2O2S — CID 82302693

IUPAC1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C13H14N2O2S/c16-13(17)10-8-11(12-6-3-7-18-12)15(14-10)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,16,17)
InChIKeyRMEHLJZFVNDGSF-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.42
Rot. Bonds3

About 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid

1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid (PubChem CID 82302693) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
PubChem CID82302693
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C13H14N2O2S/c16-13(17)10-8-11(12-6-3-7-18-12)15(14-10)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,16,17)
InChIKeyRMEHLJZFVNDGSF-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid (CID 82302693) is 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2cccs2)n(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The InChIKey is RMEHLJZFVNDGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(17)10-8-11(12-6-3-7-18-12)15(14-10)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,16,17).
What are the key properties of 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82302693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).