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

C14H7BrClFN2OS — CID 106758537

IUPAC3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)c(F)c2)nc1-c1cscc1Br
InChIInChI=1S/C14H7BrClFN2OS/c15-11-7-21-6-10(11)14-8(5-20)4-19(18-14)9-1-2-12(16)13(17)3-9/h1-7H
InChIKeyCLVFOEJCOBHROH-UHFFFAOYSA-N
MW385.65 g/mol
LogP4.97
Rot. Bonds3

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

3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 106758537) has the molecular formula C14H7BrClFN2OS and a molecular weight of 385.65 g/mol. Its IUPAC name is 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde
PubChem CID106758537
Molecular FormulaC14H7BrClFN2OS
Molecular Weight385.65 g/mol
Exact Mass383.91
IUPAC Name3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)c(F)c2)nc1-c1cscc1Br
InChIInChI=1S/C14H7BrClFN2OS/c15-11-7-21-6-10(11)14-8(5-20)4-19(18-14)9-1-2-12(16)13(17)3-9/h1-7H
InChIKeyCLVFOEJCOBHROH-UHFFFAOYSA-N
XLogP4.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 54.97
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-chloro-3-fluorophenyl)-3-pyrazin-2-ylpyrazole-4-carbaldehyde
CID 79129114
3-(2,4-dichloro-5-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 3728641
1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde
CID 43324169
3-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 107354808
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
3-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 81042312
3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 106758479
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde
CID 43324048
3-(5-bromo-2-methylthiophen-3-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 66231602
3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 165473212
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde (CID 106758537) is 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(Cl)c(F)c2)nc1-c1cscc1Br.
What is the InChIKey of 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is CLVFOEJCOBHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2OS/c15-11-7-21-6-10(11)14-8(5-20)4-19(18-14)9-1-2-12(16)13(17)3-9/h1-7H.
What are the key properties of 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde?
3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 385.65 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 106758537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).