3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine

C10H9Cl3N4O — CID 62319365

IUPAC3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1CCl
InChIInChI=1S/C10H9Cl3N4O/c1-18-5-7-6(4-11)10(13)17(16-7)9-3-2-8(12)14-15-9/h2-3H,4-5H2,1H3
InChIKeyPKILMZLTVRSYSF-UHFFFAOYSA-N
MW307.57 g/mol
LogP2.85
Rot. Bonds4

About 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine

3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine (PubChem CID 62319365) has the molecular formula C10H9Cl3N4O and a molecular weight of 307.57 g/mol. Its IUPAC name is 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine
PubChem CID62319365
Molecular FormulaC10H9Cl3N4O
Molecular Weight307.57 g/mol
Exact Mass305.98
IUPAC Name3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine
SMILESCOCc1nn(-c2ccc(Cl)nn2)c(Cl)c1CCl
InChIInChI=1S/C10H9Cl3N4O/c1-18-5-7-6(4-11)10(13)17(16-7)9-3-2-8(12)14-15-9/h2-3H,4-5H2,1H3
InChIKeyPKILMZLTVRSYSF-UHFFFAOYSA-N
XLogP2.85
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.57
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine (CID 62319365) is 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine is COCc1nn(-c2ccc(Cl)nn2)c(Cl)c1CCl.
What is the InChIKey of 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
The InChIKey is PKILMZLTVRSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N4O/c1-18-5-7-6(4-11)10(13)17(16-7)9-3-2-8(12)14-15-9/h2-3H,4-5H2,1H3.
What are the key properties of 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine has a molecular weight of 307.57 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 62319365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).