potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide

C11H11BF3KN2O — CID 55234584

IUPACpotassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
SMILESCn1cc(COc2ccc([B-](F)(F)F)cc2)cn1.[K+]
InChIInChI=1S/C11H11BF3N2O.K/c1-17-7-9(6-16-17)8-18-11-4-2-10(3-5-11)12(13,14)15;/h2-7H,8H2,1H3;/q-1;+1
InChIKeyYCVCXBKKCLKGKN-UHFFFAOYSA-N
MW294.13 g/mol
LogP-0.94
Rot. Bonds4

About potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide

potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide (PubChem CID 55234584) has the molecular formula C11H11BF3KN2O and a molecular weight of 294.13 g/mol. Its IUPAC name is potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
PubChem CID55234584
Molecular FormulaC11H11BF3KN2O
Molecular Weight294.13 g/mol
Exact Mass294.06
IUPAC Namepotassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
SMILESCn1cc(COc2ccc([B-](F)(F)F)cc2)cn1.[K+]
InChIInChI=1S/C11H11BF3N2O.K/c1-17-7-9(6-16-17)8-18-11-4-2-10(3-5-11)12(13,14)15;/h2-7H,8H2,1H3;/q-1;+1
InChIKeyYCVCXBKKCLKGKN-UHFFFAOYSA-N
XLogP-0.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 83140922
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113232754
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60889160
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
2-chloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 102724273

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide (CID 55234584) is potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide is Cn1cc(COc2ccc([B-](F)(F)F)cc2)cn1.[K+].
What is the InChIKey of potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide?
The InChIKey is YCVCXBKKCLKGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BF3N2O.K/c1-17-7-9(6-16-17)8-18-11-4-2-10(3-5-11)12(13,14)15;/h2-7H,8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide?
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide has a molecular weight of 294.13 g/mol, XLogP of -0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide is sourced from PubChem (CID 55234584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).