1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde

C15H11FN2OS — CID 43324186

IUPAC1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=O)s1
InChIInChI=1S/C15H11FN2OS/c1-10-2-7-14(20-10)15-11(9-19)8-18(17-15)13-5-3-12(16)4-6-13/h2-9H,1H3
InChIKeyBZAKEROIQHXOBZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.86
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde

1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde (PubChem CID 43324186) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
PubChem CID43324186
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=O)s1
InChIInChI=1S/C15H11FN2OS/c1-10-2-7-14(20-10)15-11(9-19)8-18(17-15)13-5-3-12(16)4-6-13/h2-9H,1H3
InChIKeyBZAKEROIQHXOBZ-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 63567158
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439093
3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 165473212
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141336
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107
3-tert-butyl-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 43141233
1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222725
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde (CID 43324186) is 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=O)s1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is BZAKEROIQHXOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-10-2-7-14(20-10)15-11(9-19)8-18(17-15)13-5-3-12(16)4-6-13/h2-9H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 286.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43324186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).