1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid

C10H12N2O3 — CID 134168014

IUPAC1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid
SMILESCC(=O)n1nc(C)c2c1CC(C(=O)O)C2
InChIInChI=1S/C10H12N2O3/c1-5-8-3-7(10(14)15)4-9(8)12(11-5)6(2)13/h7H,3-4H2,1-2H3,(H,14,15)
InChIKeyLHXLXNVETBJFIZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.65
Rot. Bonds1

About 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid

1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid (PubChem CID 134168014) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid
PubChem CID134168014
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid
SMILESCC(=O)n1nc(C)c2c1CC(C(=O)O)C2
InChIInChI=1S/C10H12N2O3/c1-5-8-3-7(10(14)15)4-9(8)12(11-5)6(2)13/h7H,3-4H2,1-2H3,(H,14,15)
InChIKeyLHXLXNVETBJFIZ-UHFFFAOYSA-N
XLogP0.65
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid (CID 134168014) is 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid is CC(=O)n1nc(C)c2c1CC(C(=O)O)C2.
What is the InChIKey of 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid?
The InChIKey is LHXLXNVETBJFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-5-8-3-7(10(14)15)4-9(8)12(11-5)6(2)13/h7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid?
1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 134168014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).