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

C9H12N2O3 — CID 67363791

IUPAC2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-8-5-7(9(13)14)10-11(8)6-3-1-2-4-6/h5-6,10H,1-4H2,(H,13,14)
InChIKeyDRYLSCBWUMDZEJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.99
Rot. Bonds2

About 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid

2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid (PubChem CID 67363791) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid
PubChem CID67363791
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-8-5-7(9(13)14)10-11(8)6-3-1-2-4-6/h5-6,10H,1-4H2,(H,13,14)
InChIKeyDRYLSCBWUMDZEJ-UHFFFAOYSA-N
XLogP0.99
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid (CID 67363791) is 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid?
The InChIKey is DRYLSCBWUMDZEJ-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/h5-6,10H,1-4H2,(H,13,14).
What are the key properties of 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid?
2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 67363791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).