4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one

C8H6F4N4O — CID 167763081

IUPAC4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESCn1nccc1N1N=C(C(F)(F)F)C(F)C1=O
InChIInChI=1S/C8H6F4N4O/c1-15-4(2-3-13-15)16-7(17)5(9)6(14-16)8(10,11)12/h2-3,5H,1H3
InChIKeyOGJMNHRFFGJBLU-UHFFFAOYSA-N
MW250.16 g/mol
LogP1.02
Rot. Bonds1

About 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one

4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one (PubChem CID 167763081) has the molecular formula C8H6F4N4O and a molecular weight of 250.16 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one
PubChem CID167763081
Molecular FormulaC8H6F4N4O
Molecular Weight250.16 g/mol
Exact Mass250.05
IUPAC Name4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESCn1nccc1N1N=C(C(F)(F)F)C(F)C1=O
InChIInChI=1S/C8H6F4N4O/c1-15-4(2-3-13-15)16-7(17)5(9)6(14-16)8(10,11)12/h2-3,5H,1H3
InChIKeyOGJMNHRFFGJBLU-UHFFFAOYSA-N
XLogP1.02
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
The IUPAC name of 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one (CID 167763081) is 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
The canonical SMILES for 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one is Cn1nccc1N1N=C(C(F)(F)F)C(F)C1=O.
What is the InChIKey of 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
The InChIKey is OGJMNHRFFGJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N4O/c1-15-4(2-3-13-15)16-7(17)5(9)6(14-16)8(10,11)12/h2-3,5H,1H3.
What are the key properties of 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one?
4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one has a molecular weight of 250.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 167763081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).