1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde

C14H8BrClN2OS — CID 43439107

IUPAC1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H8BrClN2OS/c15-10-1-3-11(4-2-10)18-7-9(8-19)14(17-18)12-5-6-13(16)20-12/h1-8H
InChIKeyPVCVNTRMEAMABE-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.83
Rot. Bonds3

About 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde

1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde (PubChem CID 43439107) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
PubChem CID43439107
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC Name1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H8BrClN2OS/c15-10-1-3-11(4-2-10)18-7-9(8-19)14(17-18)12-5-6-13(16)20-12/h1-8H
InChIKeyPVCVNTRMEAMABE-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'}

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Related Compounds

1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439093
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 63567158
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde
CID 43324169
1-(5-bromo-2-pyridinyl)-3-(5-bromothiophen-2-yl)pyrazole-4-carbaldehyde
CID 65347640
1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43324186
3-(5-chlorothiophen-2-yl)-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61272269
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
3-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 107354808
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
CID 17433375
3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 43439149

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde (CID 43439107) is 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Cl)s1.
What is the InChIKey of 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is PVCVNTRMEAMABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-10-1-3-11(4-2-10)18-7-9(8-19)14(17-18)12-5-6-13(16)20-12/h1-8H.
What are the key properties of 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde?
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)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 1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43439107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).