3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde

C16H10F2N2O — CID 43324252

IUPAC3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1c(F)cccc1F
InChIInChI=1S/C16H10F2N2O/c17-13-7-4-8-14(18)15(13)16-11(10-21)9-20(19-16)12-5-2-1-3-6-12/h1-10H
InChIKeyRVUMGPDEKBQRLK-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.63
Rot. Bonds3

About 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde

3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde (PubChem CID 43324252) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
PubChem CID43324252
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1c(F)cccc1F
InChIInChI=1S/C16H10F2N2O/c17-13-7-4-8-14(18)15(13)16-11(10-21)9-20(19-16)12-5-2-1-3-6-12/h1-10H
InChIKeyRVUMGPDEKBQRLK-UHFFFAOYSA-N
XLogP3.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
CID 114798117
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
3-(4-formyl-1-phenylpyrazol-3-yl)benzonitrile
CID 63990735
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
CID 39095577
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
3-(4-acetylphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 152594279
CID 42604299
CID 42604299
3-(4-azidophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 4060798
1-(2-fluorophenyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde
CID 63162668

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde (CID 43324252) is 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is RVUMGPDEKBQRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-13-7-4-8-14(18)15(13)16-11(10-21)9-20(19-16)12-5-2-1-3-6-12/h1-10H.
What are the key properties of 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde?
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 284.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43324252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).