3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde

C10H9FN2O — CID 174388942

IUPAC3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde
SMILESO=CC1CC(c2ccccc2F)=NN1
InChIInChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)10-5-7(6-14)12-13-10/h1-4,6-7,12H,5H2
InChIKeyKHKBFXHAEPOHFO-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.09
Rot. Bonds2

About 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde

3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde (PubChem CID 174388942) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde
PubChem CID174388942
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde
SMILESO=CC1CC(c2ccccc2F)=NN1
InChIInChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)10-5-7(6-14)12-13-10/h1-4,6-7,12H,5H2
InChIKeyKHKBFXHAEPOHFO-UHFFFAOYSA-N
XLogP1.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde (CID 174388942) is 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde is O=CC1CC(c2ccccc2F)=NN1.
What is the InChIKey of 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde?
The InChIKey is KHKBFXHAEPOHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)10-5-7(6-14)12-13-10/h1-4,6-7,12H,5H2.
What are the key properties of 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde?
3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde has a molecular weight of 192.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 174388942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).