5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine

C9H6F4N4 — CID 90328460

IUPAC5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
SMILESCc1nn(-c2cnnc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C9H6F4N4/c1-5-7(10)4-17(16-5)6-2-8(9(11,12)13)15-14-3-6/h2-4H,1H3
InChIKeyRMLLKWZVINRVGW-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.13
Rot. Bonds1

About 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine

5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine (PubChem CID 90328460) has the molecular formula C9H6F4N4 and a molecular weight of 246.17 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
PubChem CID90328460
Molecular FormulaC9H6F4N4
Molecular Weight246.17 g/mol
Exact Mass246.05
IUPAC Name5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
SMILESCc1nn(-c2cnnc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C9H6F4N4/c1-5-7(10)4-17(16-5)6-2-8(9(11,12)13)15-14-3-6/h2-4H,1H3
InChIKeyRMLLKWZVINRVGW-UHFFFAOYSA-N
XLogP2.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The IUPAC name of 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine (CID 90328460) is 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine is Cc1nn(-c2cnnc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The InChIKey is RMLLKWZVINRVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N4/c1-5-7(10)4-17(16-5)6-2-8(9(11,12)13)15-14-3-6/h2-4H,1H3.
What are the key properties of 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine has a molecular weight of 246.17 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 90328460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).