4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde

C9H11FN2O — CID 105439973

IUPAC4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)c2c1CCC2(C)F
InChIInChI=1S/C9H11FN2O/c1-9(10)4-3-7-8(9)6(5-13)11-12(7)2/h5H,3-4H2,1-2H3
InChIKeyFCZCGPMRZMXJET-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.36
Rot. Bonds1

About 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde

4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde (PubChem CID 105439973) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde
PubChem CID105439973
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)c2c1CCC2(C)F
InChIInChI=1S/C9H11FN2O/c1-9(10)4-3-7-8(9)6(5-13)11-12(7)2/h5H,3-4H2,1-2H3
InChIKeyFCZCGPMRZMXJET-UHFFFAOYSA-N
XLogP1.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.36
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 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
The IUPAC name of 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde (CID 105439973) is 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde is Cn1nc(C=O)c2c1CCC2(C)F.
What is the InChIKey of 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
The InChIKey is FCZCGPMRZMXJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-9(10)4-3-7-8(9)6(5-13)11-12(7)2/h5H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde?
4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde has a molecular weight of 182.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105439973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).