5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde

C11H9FN2O — CID 115023285

IUPAC5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-n2ncc(C=O)c2F)cc1
InChIInChI=1S/C11H9FN2O/c1-8-2-4-10(5-3-8)14-11(12)9(7-15)6-13-14/h2-7H,1H3
InChIKeyVWDLTXOCUKGVMC-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.13
Rot. Bonds2

About 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde

5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde (PubChem CID 115023285) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde
PubChem CID115023285
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-n2ncc(C=O)c2F)cc1
InChIInChI=1S/C11H9FN2O/c1-8-2-4-10(5-3-8)14-11(12)9(7-15)6-13-14/h2-7H,1H3
InChIKeyVWDLTXOCUKGVMC-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.13
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

5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 83892552
1-(4-methylphenyl)-4-nitropyrazole-5-carbaldehyde
CID 139675378
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 115040037
1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
CID 79150340
1-(4-ethylphenyl)-5-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 82527711
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032
5-methoxy-1-phenylpyrazole-4-carbaldehyde
CID 131583769
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
5-(2-fluorophenyl)-1-(4-methylphenyl)-4-nitropyrazole
CID 102336731
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83887983
5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
CID 46197465

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde (CID 115023285) is 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde is Cc1ccc(-n2ncc(C=O)c2F)cc1.
What is the InChIKey of 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is VWDLTXOCUKGVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-8-2-4-10(5-3-8)14-11(12)9(7-15)6-13-14/h2-7H,1H3.
What are the key properties of 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 204.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 115023285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).