trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide

C7H11BF3N2- — CID 166000245

IUPACtrifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide
SMILESCc1cnn(C(C)C)c1[B-](F)(F)F
InChIInChI=1S/C7H11BF3N2/c1-5(2)13-7(8(9,10)11)6(3)4-12-13/h4-5H,1-3H3/q-1
InChIKeyLIZFCTFLISJCQF-UHFFFAOYSA-N
MW190.99 g/mol
LogP1.83
Rot. Bonds2

About trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide

trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide (PubChem CID 166000245) has the molecular formula C7H11BF3N2- and a molecular weight of 190.99 g/mol. Its IUPAC name is trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide
PubChem CID166000245
Molecular FormulaC7H11BF3N2-
Molecular Weight190.99 g/mol
Exact Mass191.10
IUPAC Nametrifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide
SMILESCc1cnn(C(C)C)c1[B-](F)(F)F
InChIInChI=1S/C7H11BF3N2/c1-5(2)13-7(8(9,10)11)6(3)4-12-13/h4-5H,1-3H3/q-1
InChIKeyLIZFCTFLISJCQF-UHFFFAOYSA-N
XLogP1.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.99
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide?
The IUPAC name of trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide (CID 166000245) is trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide.
What is the SMILES notation for trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide?
The canonical SMILES for trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide is Cc1cnn(C(C)C)c1[B-](F)(F)F.
What is the InChIKey of trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide?
The InChIKey is LIZFCTFLISJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF3N2/c1-5(2)13-7(8(9,10)11)6(3)4-12-13/h4-5H,1-3H3/q-1.
What are the key properties of trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide?
trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide has a molecular weight of 190.99 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide is sourced from PubChem (CID 166000245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).