5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde

C12H10Cl2N2O — CID 43145573

IUPAC5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde
SMILESCCc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=O
InChIInChI=1S/C12H10Cl2N2O/c1-2-11-10(7-17)12(14)16(15-11)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyBRAHVMAVIYVKCR-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.55
Rot. Bonds3

About 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde

5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde (PubChem CID 43145573) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde
PubChem CID43145573
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde
SMILESCCc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=O
InChIInChI=1S/C12H10Cl2N2O/c1-2-11-10(7-17)12(14)16(15-11)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyBRAHVMAVIYVKCR-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.55
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-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde (CID 43145573) is 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde is CCc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde?
The InChIKey is BRAHVMAVIYVKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-2-11-10(7-17)12(14)16(15-11)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde?
5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde has a molecular weight of 269.13 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chlorophenyl)-3-ethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43145573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).