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

C15H10Br2N2OS — CID 107354887

IUPAC1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2ccccc2Br)nc1-c1cc(Br)cs1
InChIInChI=1S/C15H10Br2N2OS/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
InChIKeyUWVUXIQLFANOMN-UHFFFAOYSA-N
MW426.13 g/mol
LogP5.00
Rot. Bonds4

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

1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde (PubChem CID 107354887) has the molecular formula C15H10Br2N2OS and a molecular weight of 426.13 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde
PubChem CID107354887
Molecular FormulaC15H10Br2N2OS
Molecular Weight426.13 g/mol
Exact Mass423.89
IUPAC Name1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2ccccc2Br)nc1-c1cc(Br)cs1
InChIInChI=1S/C15H10Br2N2OS/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
InChIKeyUWVUXIQLFANOMN-UHFFFAOYSA-N
XLogP5.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.13
LogP ≤ 55.00
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-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde
CID 107354884
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 107354825
1-[(2-bromophenyl)methyl]-3-cyclohexylpyrazole-4-carbaldehyde
CID 63566267
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
1-[(4-bromophenyl)methyl]-3-thiophen-3-ylpyrazole-4-carbaldehyde
CID 63276852
1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbaldehyde
CID 4961726
1-benzyl-3-(5-chlorothiophen-3-yl)pyrazole-4-carbaldehyde
CID 106758395
3-(4-bromothiophen-2-yl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 107354867
3-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 107354808
1-[(2-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223316
1-[(3-bromophenyl)methyl]-3-(3-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 63992446

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde (CID 107354887) is 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde is O=Cc1cn(Cc2ccccc2Br)nc1-c1cc(Br)cs1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is UWVUXIQLFANOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2OS/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 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde?
1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 426.13 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 107354887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).