3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide

C10H5F4N2- — CID 140780339

IUPAC3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide
SMILESCc1cc(-c2cc(F)c(F)c(F)c2F)[n-]n1
InChIInChI=1S/C10H5F4N2/c1-4-2-7(16-15-4)5-3-6(11)9(13)10(14)8(5)12/h2-3H,1H3/q-1
InChIKeyWCCUPUUCNNZVTK-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.57
Rot. Bonds1

About 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide

3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide (PubChem CID 140780339) has the molecular formula C10H5F4N2- and a molecular weight of 229.16 g/mol. Its IUPAC name is 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide.

Molecular Properties

Compound Name3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide
PubChem CID140780339
Molecular FormulaC10H5F4N2-
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide
SMILESCc1cc(-c2cc(F)c(F)c(F)c2F)[n-]n1
InChIInChI=1S/C10H5F4N2/c1-4-2-7(16-15-4)5-3-6(11)9(13)10(14)8(5)12/h2-3H,1H3/q-1
InChIKeyWCCUPUUCNNZVTK-UHFFFAOYSA-N
XLogP2.57
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633
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CID 172801487
CID 172801487
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
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magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
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1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
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6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione
CID 100960275
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine
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2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine
CID 175249853
1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene
CID 71326789

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide?
The IUPAC name of 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide (CID 140780339) is 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide.
What is the SMILES notation for 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide?
The canonical SMILES for 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide is Cc1cc(-c2cc(F)c(F)c(F)c2F)[n-]n1.
What is the InChIKey of 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide?
The InChIKey is WCCUPUUCNNZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4N2/c1-4-2-7(16-15-4)5-3-6(11)9(13)10(14)8(5)12/h2-3H,1H3/q-1.
What are the key properties of 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide?
3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide has a molecular weight of 229.16 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide is sourced from PubChem (CID 140780339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).