5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

C10H7F5N4O2 — CID 19436795

IUPAC5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(OC(F)F)cnn1
InChIInChI=1S/C10H7F5N4O2/c1-19-8(3-6(18-19)10(13,14)15)21-7-2-5(4-16-17-7)20-9(11)12/h2-4,9H,1H3
InChIKeyWBPUDSRLQQJYKV-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.62
Rot. Bonds4

About 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436795) has the molecular formula C10H7F5N4O2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436795
Molecular FormulaC10H7F5N4O2
Molecular Weight310.18 g/mol
Exact Mass310.05
IUPAC Name5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(OC(F)F)cnn1
InChIInChI=1S/C10H7F5N4O2/c1-19-8(3-6(18-19)10(13,14)15)21-7-2-5(4-16-17-7)20-9(11)12/h2-4,9H,1H3
InChIKeyWBPUDSRLQQJYKV-UHFFFAOYSA-N
XLogP2.62
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436795) is 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is Cn1nc(C(F)(F)F)cc1Oc1cc(OC(F)F)cnn1.
What is the InChIKey of 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is WBPUDSRLQQJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N4O2/c1-19-8(3-6(18-19)10(13,14)15)21-7-2-5(4-16-17-7)20-9(11)12/h2-4,9H,1H3.
What are the key properties of 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 310.18 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).