5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde

C11H11ClN4O2 — CID 62318441

IUPAC5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2ccc(C)nn2)c(Cl)c1C=O
InChIInChI=1S/C11H11ClN4O2/c1-7-3-4-10(14-13-7)16-11(12)8(5-17)9(15-16)6-18-2/h3-5H,6H2,1-2H3
InChIKeyPLPAYKGKIOTVEH-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.58
Rot. Bonds4

About 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde

5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde (PubChem CID 62318441) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde
PubChem CID62318441
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde
SMILESCOCc1nn(-c2ccc(C)nn2)c(Cl)c1C=O
InChIInChI=1S/C11H11ClN4O2/c1-7-3-4-10(14-13-7)16-11(12)8(5-17)9(15-16)6-18-2/h3-5H,6H2,1-2H3
InChIKeyPLPAYKGKIOTVEH-UHFFFAOYSA-N
XLogP1.58
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.58
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-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde (CID 62318441) is 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde is COCc1nn(-c2ccc(C)nn2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde?
The InChIKey is PLPAYKGKIOTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-7-3-4-10(14-13-7)16-11(12)8(5-17)9(15-16)6-18-2/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde?
5-chloro-3-(methoxymethyl)-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde has a molecular weight of 266.69 g/mol, XLogP of 1.58, 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-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 62318441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).