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

C9H8Cl2N4O — CID 66022582

IUPAC3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine
SMILESCOCc1cc(Cl)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C9H8Cl2N4O/c1-16-5-6-4-8(11)15(14-6)9-3-2-7(10)12-13-9/h2-4H,5H2,1H3
InChIKeyFLPFTDYQRMLPOY-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.12
Rot. Bonds3

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

3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine (PubChem CID 66022582) has the molecular formula C9H8Cl2N4O and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine
PubChem CID66022582
Molecular FormulaC9H8Cl2N4O
Molecular Weight259.10 g/mol
Exact Mass258.01
IUPAC Name3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine
SMILESCOCc1cc(Cl)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C9H8Cl2N4O/c1-16-5-6-4-8(11)15(14-6)9-3-2-7(10)12-13-9/h2-4H,5H2,1H3
InChIKeyFLPFTDYQRMLPOY-UHFFFAOYSA-N
XLogP2.12
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine (CID 66022582) is 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine is COCc1cc(Cl)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
The InChIKey is FLPFTDYQRMLPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O/c1-16-5-6-4-8(11)15(14-6)9-3-2-7(10)12-13-9/h2-4H,5H2,1H3.
What are the key properties of 3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine?
3-chloro-6-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]pyridazine has a molecular weight of 259.10 g/mol, XLogP of 2.12, 3 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-3-(methoxymethyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 66022582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).