5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde

C12H10Cl2N2O — CID 114844627

IUPAC5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCc1nn(-c2ccc(Cl)cc2C=O)c(C)c1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-12(14)8(2)16(15-7)11-4-3-10(13)5-9(11)6-17/h3-6H,1-2H3
InChIKeyOEXPZPKKOVMSST-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.61
Rot. Bonds2

About 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde

5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde (PubChem CID 114844627) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde
PubChem CID114844627
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCc1nn(-c2ccc(Cl)cc2C=O)c(C)c1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-12(14)8(2)16(15-7)11-4-3-10(13)5-9(11)6-17/h3-6H,1-2H3
InChIKeyOEXPZPKKOVMSST-UHFFFAOYSA-N
XLogP3.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde (CID 114844627) is 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde is Cc1nn(-c2ccc(Cl)cc2C=O)c(C)c1Cl.
What is the InChIKey of 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The InChIKey is OEXPZPKKOVMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-12(14)8(2)16(15-7)11-4-3-10(13)5-9(11)6-17/h3-6H,1-2H3.
What are the key properties of 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde?
5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde has a molecular weight of 269.13 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 114844627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).