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

C15H10BrClN2OS — CID 107354884

IUPAC3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2ccccc2Cl)nc1-c1cc(Br)cs1
InChIInChI=1S/C15H10BrClN2OS/c16-12-5-14(21-9-12)15-11(8-20)7-19(18-15)6-10-3-1-2-4-13(10)17/h1-5,7-9H,6H2
InChIKeyGECYDOMQVSNAGO-UHFFFAOYSA-N
MW381.68 g/mol
LogP4.89
Rot. Bonds4

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

3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde (PubChem CID 107354884) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde
PubChem CID107354884
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC Name3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2ccccc2Cl)nc1-c1cc(Br)cs1
InChIInChI=1S/C15H10BrClN2OS/c16-12-5-14(21-9-12)15-11(8-20)7-19(18-15)6-10-3-1-2-4-13(10)17/h1-5,7-9H,6H2
InChIKeyGECYDOMQVSNAGO-UHFFFAOYSA-N
XLogP4.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 54.89
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-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde
CID 107354887
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 107354825
1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbaldehyde
CID 4961726
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
1-[(2-chlorophenyl)methyl]-3-cyclohexylpyrazole-4-carbaldehyde
CID 63568228
3-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 107354808
1-benzyl-3-(5-chlorothiophen-3-yl)pyrazole-4-carbaldehyde
CID 106758395
1-[(4-bromophenyl)methyl]-3-thiophen-3-ylpyrazole-4-carbaldehyde
CID 63276852
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
3-(4-bromothiophen-2-yl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 107354867
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
1-[(2-bromophenyl)methyl]-3-cyclohexylpyrazole-4-carbaldehyde
CID 63566267

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde (CID 107354884) is 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde is O=Cc1cn(Cc2ccccc2Cl)nc1-c1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is GECYDOMQVSNAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c16-12-5-14(21-9-12)15-11(8-20)7-19(18-15)6-10-3-1-2-4-13(10)17/h1-5,7-9H,6H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde?
3-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 381.68 g/mol, XLogP of 4.89, 4 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-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 107354884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).