1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid

C9H12N2O3 — CID 61389178

IUPAC1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(C2CCCC2)C(=O)C1
InChIInChI=1S/C9H12N2O3/c12-8-5-7(9(13)14)10-11(8)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)
InChIKeyOUXBOTXGDVMYKX-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.60
Rot. Bonds2

About 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid

1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid (PubChem CID 61389178) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid
PubChem CID61389178
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(C2CCCC2)C(=O)C1
InChIInChI=1S/C9H12N2O3/c12-8-5-7(9(13)14)10-11(8)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)
InChIKeyOUXBOTXGDVMYKX-UHFFFAOYSA-N
XLogP0.60
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid (CID 61389178) is 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid is O=C(O)C1=NN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The InChIKey is OUXBOTXGDVMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8-5-7(9(13)14)10-11(8)6-3-1-2-4-6/h6H,1-5H2,(H,13,14).
What are the key properties of 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid?
1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 61389178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).