3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde

C14H8BrFN2OS — CID 107354801

IUPAC3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2)nc1-c1cc(Br)cs1
InChIInChI=1S/C14H8BrFN2OS/c15-10-5-13(20-8-10)14-9(7-19)6-18(17-14)12-3-1-11(16)2-4-12/h1-8H
InChIKeyRWJILVPSJPANJA-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.31
Rot. Bonds3

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

3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 107354801) has the molecular formula C14H8BrFN2OS and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
PubChem CID107354801
Molecular FormulaC14H8BrFN2OS
Molecular Weight351.20 g/mol
Exact Mass349.95
IUPAC Name3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2)nc1-c1cc(Br)cs1
InChIInChI=1S/C14H8BrFN2OS/c15-10-5-13(20-8-10)14-9(7-19)6-18(17-14)12-3-1-11(16)2-4-12/h1-8H
InChIKeyRWJILVPSJPANJA-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.31
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

3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
3-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 107354808
3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 165473212
1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43324186
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 63567158
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine
CID 107354942
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 107354825
1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde
CID 107354887
3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde
CID 79204445

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde (CID 107354801) is 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(F)cc2)nc1-c1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is RWJILVPSJPANJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2OS/c15-10-5-13(20-8-10)14-9(7-19)6-18(17-14)12-3-1-11(16)2-4-12/h1-8H.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 351.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 107354801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).