5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde

C11H10ClN3O — CID 43543114

IUPAC5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCCc1nn(-c2ccncc2)c(Cl)c1C=O
InChIInChI=1S/C11H10ClN3O/c1-2-10-9(7-16)11(12)15(14-10)8-3-5-13-6-4-8/h3-7H,2H2,1H3
InChIKeyVVMXQRJDZZNGIU-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.30
Rot. Bonds3

About 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde

5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 43543114) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID43543114
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCCc1nn(-c2ccncc2)c(Cl)c1C=O
InChIInChI=1S/C11H10ClN3O/c1-2-10-9(7-16)11(12)15(14-10)8-3-5-13-6-4-8/h3-7H,2H2,1H3
InChIKeyVVMXQRJDZZNGIU-UHFFFAOYSA-N
XLogP2.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde (CID 43543114) is 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde is CCc1nn(-c2ccncc2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is VVMXQRJDZZNGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-2-10-9(7-16)11(12)15(14-10)8-3-5-13-6-4-8/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 235.67 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43543114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).