1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

C13H10ClFN2O2 — CID 43123861

IUPAC1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2
InChIInChI=1S/C13H10ClFN2O2/c14-7-4-5-11(9(15)6-7)17-10-3-1-2-8(10)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19)
InChIKeyAALLNSDDKGMNKD-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.85
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 43123861) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID43123861
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2
InChIInChI=1S/C13H10ClFN2O2/c14-7-4-5-11(9(15)6-7)17-10-3-1-2-8(10)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19)
InChIKeyAALLNSDDKGMNKD-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (CID 43123861) is 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is AALLNSDDKGMNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-7-4-5-11(9(15)6-7)17-10-3-1-2-8(10)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 280.69 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 43123861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).