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

C10H9F3N4O — CID 19436812

IUPAC4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCc1ccnnc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H9F3N4O/c1-6-3-4-14-15-9(6)18-8-5-7(10(11,12)13)16-17(8)2/h3-5H,1-2H3
InChIKeyCKBZQVXANOXUHQ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.33
Rot. Bonds2

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

4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436812) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436812
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCc1ccnnc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H9F3N4O/c1-6-3-4-14-15-9(6)18-8-5-7(10(11,12)13)16-17(8)2/h3-5H,1-2H3
InChIKeyCKBZQVXANOXUHQ-UHFFFAOYSA-N
XLogP2.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436812) is 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is Cc1ccnnc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is CKBZQVXANOXUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-3-4-14-15-9(6)18-8-5-7(10(11,12)13)16-17(8)2/h3-5H,1-2H3.
What are the key properties of 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 258.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).