5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole

C15H16F4N2 — CID 138570982

IUPAC5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole
SMILESCC(C)c1cc(-c2c(F)c(F)c(F)c(F)c2C(C)C)n[nH]1
InChIInChI=1S/C15H16F4N2/c1-6(2)8-5-9(21-20-8)11-10(7(3)4)12(16)14(18)15(19)13(11)17/h5-7H,1-4H3,(H,20,21)
InChIKeyWLEYOZPROIMMEV-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.88
Rot. Bonds3

About 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole

5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole (PubChem CID 138570982) has the molecular formula C15H16F4N2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole
PubChem CID138570982
Molecular FormulaC15H16F4N2
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole
SMILESCC(C)c1cc(-c2c(F)c(F)c(F)c(F)c2C(C)C)n[nH]1
InChIInChI=1S/C15H16F4N2/c1-6(2)8-5-9(21-20-8)11-10(7(3)4)12(16)14(18)15(19)13(11)17/h5-7H,1-4H3,(H,20,21)
InChIKeyWLEYOZPROIMMEV-UHFFFAOYSA-N
XLogP4.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.88
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole?
The IUPAC name of 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole (CID 138570982) is 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole?
The canonical SMILES for 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole is CC(C)c1cc(-c2c(F)c(F)c(F)c(F)c2C(C)C)n[nH]1.
What is the InChIKey of 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole?
The InChIKey is WLEYOZPROIMMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2/c1-6(2)8-5-9(21-20-8)11-10(7(3)4)12(16)14(18)15(19)13(11)17/h5-7H,1-4H3,(H,20,21).
What are the key properties of 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole?
5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole has a molecular weight of 300.30 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(2,3,4,5-tetrafluoro-6-propan-2-ylphenyl)-1H-pyrazole is sourced from PubChem (CID 138570982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).