3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine

C10H9F3N4 — CID 143483802

IUPAC3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine
SMILESCc1ccc(-n2nc(C)cc2C(F)(F)F)nn1
InChIInChI=1S/C10H9F3N4/c1-6-3-4-9(15-14-6)17-8(10(11,12)13)5-7(2)16-17/h3-5H,1-2H3
InChIKeyGMBKJWUFMDXDJH-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.30
Rot. Bonds1

About 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine

3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine (PubChem CID 143483802) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine
PubChem CID143483802
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine
SMILESCc1ccc(-n2nc(C)cc2C(F)(F)F)nn1
InChIInChI=1S/C10H9F3N4/c1-6-3-4-9(15-14-6)17-8(10(11,12)13)5-7(2)16-17/h3-5H,1-2H3
InChIKeyGMBKJWUFMDXDJH-UHFFFAOYSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine (CID 143483802) is 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine is Cc1ccc(-n2nc(C)cc2C(F)(F)F)nn1.
What is the InChIKey of 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine?
The InChIKey is GMBKJWUFMDXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-6-3-4-9(15-14-6)17-8(10(11,12)13)5-7(2)16-17/h3-5H,1-2H3.
What are the key properties of 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine?
3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine has a molecular weight of 242.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 143483802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).