5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde

C7H7FN2O — CID 174760183

IUPAC5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1CC=CF
InChIInChI=1S/C7H7FN2O/c8-3-1-2-7-6(5-11)4-9-10-7/h1,3-5H,2H2,(H,9,10)
InChIKeySSOPJPFYCUXOOW-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.25
Rot. Bonds3

About 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde

5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde (PubChem CID 174760183) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde
PubChem CID174760183
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1CC=CF
InChIInChI=1S/C7H7FN2O/c8-3-1-2-7-6(5-11)4-9-10-7/h1,3-5H,2H2,(H,9,10)
InChIKeySSOPJPFYCUXOOW-UHFFFAOYSA-N
XLogP1.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde (CID 174760183) is 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde is O=Cc1cn[nH]c1CC=CF.
What is the InChIKey of 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is SSOPJPFYCUXOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c8-3-1-2-7-6(5-11)4-9-10-7/h1,3-5H,2H2,(H,9,10).
What are the key properties of 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde?
5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 154.14 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroprop-2-enyl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 174760183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).