5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde

C13H11FN2O — CID 115037644

IUPAC5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
SMILESO=Cc1cc(C2CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C13H11FN2O/c14-10-2-1-3-12(6-10)16-13(9-4-5-9)7-11(8-17)15-16/h1-3,6-9H,4-5H2
InChIKeyXHAFWJSSBGHNTE-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.70
Rot. Bonds3

About 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde

5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde (PubChem CID 115037644) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
PubChem CID115037644
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
SMILESO=Cc1cc(C2CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C13H11FN2O/c14-10-2-1-3-12(6-10)16-13(9-4-5-9)7-11(8-17)15-16/h1-3,6-9H,4-5H2
InChIKeyXHAFWJSSBGHNTE-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.70
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 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
The IUPAC name of 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde (CID 115037644) is 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde is O=Cc1cc(C2CC2)n(-c2cccc(F)c2)n1.
What is the InChIKey of 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
The InChIKey is XHAFWJSSBGHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-10-2-1-3-12(6-10)16-13(9-4-5-9)7-11(8-17)15-16/h1-3,6-9H,4-5H2.
What are the key properties of 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde?
5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde has a molecular weight of 230.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 115037644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).