5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde

C11H10ClN3O2 — CID 62320650

IUPAC5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2ccncc2)c(Cl)c1C=O
InChIInChI=1S/C11H10ClN3O2/c1-17-7-10-9(6-16)11(12)15(14-10)8-2-4-13-5-3-8/h2-6H,7H2,1H3
InChIKeyZGTZIUDWPJUVFZ-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde

5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 62320650) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID62320650
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2ccncc2)c(Cl)c1C=O
InChIInChI=1S/C11H10ClN3O2/c1-17-7-10-9(6-16)11(12)15(14-10)8-2-4-13-5-3-8/h2-6H,7H2,1H3
InChIKeyZGTZIUDWPJUVFZ-UHFFFAOYSA-N
XLogP1.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde (CID 62320650) is 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde is COCc1nn(-c2ccncc2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is ZGTZIUDWPJUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-17-7-10-9(6-16)11(12)15(14-10)8-2-4-13-5-3-8/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 251.67 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 62320650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).