3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

C10H8ClF3N4O2 — CID 19436779

IUPAC3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCOc1cc(Oc2cc(C(F)(F)F)nn2C)nnc1Cl
InChIInChI=1S/C10H8ClF3N4O2/c1-18-8(4-6(17-18)10(12,13)14)20-7-3-5(19-2)9(11)16-15-7/h3-4H,1-2H3
InChIKeyOZGITWJSIZLYRL-UHFFFAOYSA-N
MW308.65 g/mol
LogP2.68
Rot. Bonds3

About 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436779) has the molecular formula C10H8ClF3N4O2 and a molecular weight of 308.65 g/mol. Its IUPAC name is 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436779
Molecular FormulaC10H8ClF3N4O2
Molecular Weight308.65 g/mol
Exact Mass308.03
IUPAC Name3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCOc1cc(Oc2cc(C(F)(F)F)nn2C)nnc1Cl
InChIInChI=1S/C10H8ClF3N4O2/c1-18-8(4-6(17-18)10(12,13)14)20-7-3-5(19-2)9(11)16-15-7/h3-4H,1-2H3
InChIKeyOZGITWJSIZLYRL-UHFFFAOYSA-N
XLogP2.68
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436779) is 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is COc1cc(Oc2cc(C(F)(F)F)nn2C)nnc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is OZGITWJSIZLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O2/c1-18-8(4-6(17-18)10(12,13)14)20-7-3-5(19-2)9(11)16-15-7/h3-4H,1-2H3.
What are the key properties of 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 308.65 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).