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

C10H9ClN4O2 — CID 103294242

IUPAC5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2cccnn2)c(Cl)c1C=O
InChIInChI=1S/C10H9ClN4O2/c1-17-6-8-7(5-16)10(11)15(14-8)9-3-2-4-12-13-9/h2-5H,6H2,1H3
InChIKeyMAEQCSDTRRAWRB-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.27
Rot. Bonds4

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

5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde (PubChem CID 103294242) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde
PubChem CID103294242
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2cccnn2)c(Cl)c1C=O
InChIInChI=1S/C10H9ClN4O2/c1-17-6-8-7(5-16)10(11)15(14-8)9-3-2-4-12-13-9/h2-5H,6H2,1H3
InChIKeyMAEQCSDTRRAWRB-UHFFFAOYSA-N
XLogP1.27
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-pyridazin-3-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde (CID 103294242) is 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde is COCc1nn(-c2cccnn2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde?
The InChIKey is MAEQCSDTRRAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-6-8-7(5-16)10(11)15(14-8)9-3-2-4-12-13-9/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde?
5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde has a molecular weight of 252.66 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1-pyridazin-3-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 103294242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).