3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine

C10H10F2N4O2 — CID 19436780

IUPAC3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine
SMILESCOc1cnnc(Oc2cc(C(F)F)nn2C)c1
InChIInChI=1S/C10H10F2N4O2/c1-16-9(4-7(15-16)10(11)12)18-8-3-6(17-2)5-13-14-8/h3-5,10H,1-2H3
InChIKeyJUIRIXQJCXSSGZ-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.95
Rot. Bonds4

About 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine

3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine (PubChem CID 19436780) has the molecular formula C10H10F2N4O2 and a molecular weight of 256.21 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine.

Molecular Properties

Compound Name3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine
PubChem CID19436780
Molecular FormulaC10H10F2N4O2
Molecular Weight256.21 g/mol
Exact Mass256.08
IUPAC Name3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine
SMILESCOc1cnnc(Oc2cc(C(F)F)nn2C)c1
InChIInChI=1S/C10H10F2N4O2/c1-16-9(4-7(15-16)10(11)12)18-8-3-6(17-2)5-13-14-8/h3-5,10H,1-2H3
InChIKeyJUIRIXQJCXSSGZ-UHFFFAOYSA-N
XLogP1.95
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
The IUPAC name of 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine (CID 19436780) is 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine.
What is the SMILES notation for 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
The canonical SMILES for 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine is COc1cnnc(Oc2cc(C(F)F)nn2C)c1.
What is the InChIKey of 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
The InChIKey is JUIRIXQJCXSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2/c1-16-9(4-7(15-16)10(11)12)18-8-3-6(17-2)5-13-14-8/h3-5,10H,1-2H3.
What are the key properties of 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine has a molecular weight of 256.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine is sourced from PubChem (CID 19436780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).