1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde

C9H11FN2O — CID 105439972

IUPAC1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCCn1nc(C=O)c2c1CCC2F
InChIInChI=1S/C9H11FN2O/c1-2-12-8-4-3-6(10)9(8)7(5-13)11-12/h5-6H,2-4H2,1H3
InChIKeyRQNGPBSVOFRYII-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.67
Rot. Bonds2

About 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde

1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (PubChem CID 105439972) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
PubChem CID105439972
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCCn1nc(C=O)c2c1CCC2F
InChIInChI=1S/C9H11FN2O/c1-2-12-8-4-3-6(10)9(8)7(5-13)11-12/h5-6H,2-4H2,1H3
InChIKeyRQNGPBSVOFRYII-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The IUPAC name of 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (CID 105439972) is 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is CCn1nc(C=O)c2c1CCC2F.
What is the InChIKey of 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The InChIKey is RQNGPBSVOFRYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-2-12-8-4-3-6(10)9(8)7(5-13)11-12/h5-6H,2-4H2,1H3.
What are the key properties of 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde has a molecular weight of 182.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105439972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).