2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde

C10H7FN2O2 — CID 83882653

IUPAC2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-2-1-3-9(4-7)13-10(15)5-8(6-14)12-13/h1-6,12H
InChIKeyUJVBBTSRHMDTEB-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.12
Rot. Bonds2

About 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde

2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde (PubChem CID 83882653) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde
PubChem CID83882653
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-2-1-3-9(4-7)13-10(15)5-8(6-14)12-13/h1-6,12H
InChIKeyUJVBBTSRHMDTEB-UHFFFAOYSA-N
XLogP1.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66020883
2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one
CID 83889917
5-fluoro-2-phenyl-1H-pyrazol-3-one
CID 155895443
1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
2-(3-fluorophenyl)-1H-pyrazol-5-one
CID 54178318
2-(3-fluorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021501
5-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-phenyl-1H-pyrazol-3-one
CID 57221591
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
(3S)-3-[[2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71451692
2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83195525
2-(3-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
CID 105492392
5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 19166951

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde (CID 83882653) is 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde is O=Cc1cc(=O)n(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde?
The InChIKey is UJVBBTSRHMDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-2-1-3-9(4-7)13-10(15)5-8(6-14)12-13/h1-6,12H.
What are the key properties of 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde?
2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde has a molecular weight of 206.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 83882653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).