1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde

C17H13FN2O — CID 72545568

IUPAC1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
SMILESCc1c(C=O)c(-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c1-12-16(11-21)17(13-5-3-2-4-6-13)19-20(12)15-9-7-14(18)8-10-15/h2-11H,1H3
InChIKeyWSFSGOXIRVXNNF-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.80
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde

1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde (PubChem CID 72545568) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
PubChem CID72545568
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
SMILESCc1c(C=O)c(-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c1-12-16(11-21)17(13-5-3-2-4-6-13)19-20(12)15-9-7-14(18)8-10-15/h2-11H,1H3
InChIKeyWSFSGOXIRVXNNF-UHFFFAOYSA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.80
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

methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028599
5-chloro-1-(2-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 43328214
5-bromo-1-(2-fluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 87406174
5-bromo-3-(4-fluorophenyl)-1-(4-nitrophenyl)pyrazole-4-carbaldehyde
CID 87405743
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 86037887
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3672642

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde (CID 72545568) is 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde is Cc1c(C=O)c(-c2ccccc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde?
The InChIKey is WSFSGOXIRVXNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12-16(11-21)17(13-5-3-2-4-6-13)19-20(12)15-9-7-14(18)8-10-15/h2-11H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde?
1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde has a molecular weight of 280.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 72545568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).