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

C14H8BrClN2OS — CID 107354799

IUPAC3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Cl)c2)nc1-c1cc(Br)cs1
InChIInChI=1S/C14H8BrClN2OS/c15-10-4-13(20-8-10)14-9(7-19)6-18(17-14)12-3-1-2-11(16)5-12/h1-8H
InChIKeyXJSCOPJZBOJRQL-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.83
Rot. Bonds3

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

3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde (PubChem CID 107354799) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
PubChem CID107354799
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC Name3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Cl)c2)nc1-c1cc(Br)cs1
InChIInChI=1S/C14H8BrClN2OS/c15-10-4-13(20-8-10)14-9(7-19)6-18(17-14)12-3-1-2-11(16)5-12/h1-8H
InChIKeyXJSCOPJZBOJRQL-UHFFFAOYSA-N
XLogP4.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde
CID 107354884
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 106758479
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-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 107354825
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde
CID 107354887

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde (CID 107354799) is 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2cccc(Cl)c2)nc1-c1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is XJSCOPJZBOJRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-10-4-13(20-8-10)14-9(7-19)6-18(17-14)12-3-1-2-11(16)5-12/h1-8H.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde?
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 367.66 g/mol, XLogP of 4.83, 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-(3-chlorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 107354799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).