[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane

C5H4BF3N2O2 — CID 91210333

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane
SMILESCn1nc(C(F)(F)F)cc1OB=O
InChIInChI=1S/C5H4BF3N2O2/c1-11-4(13-6-12)2-3(10-11)5(7,8)9/h2H,1H3
InChIKeyUGKXXJGRJWHCHA-UHFFFAOYSA-N
MW191.91 g/mol
LogP0.78
Rot. Bonds2

About [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane

[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane (PubChem CID 91210333) has the molecular formula C5H4BF3N2O2 and a molecular weight of 191.91 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane
PubChem CID91210333
Molecular FormulaC5H4BF3N2O2
Molecular Weight191.91 g/mol
Exact Mass192.03
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane
SMILESCn1nc(C(F)(F)F)cc1OB=O
InChIInChI=1S/C5H4BF3N2O2/c1-11-4(13-6-12)2-3(10-11)5(7,8)9/h2H,1H3
InChIKeyUGKXXJGRJWHCHA-UHFFFAOYSA-N
XLogP0.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.91
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Difluoromethoxy)-1,3-dimethyl-1H-pyrazole
CID 17770018
5-Methoxy-1-methyl-3-(trifluoromethyl)pyrazole
CID 53907218
5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 56605347
3-(Difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole
CID 59739605
(2,5-Dimethylpyrazol-3-yl) trifluoromethanesulfonate
CID 11160881
1-Methyl-3-trifluoromethyl-5-trifluoromethylsulphonyloxypyrazole
CID 11738060
3-methoxy-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 17862856
1-Ethyl-5-methoxy-3-(trifluoromethyl)pyrazole
CID 19080777
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl trifluoromethanesulfonate
CID 22148037
1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl trifluoromethanesulfonate
CID 58200508
1-Methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole
CID 58841915
5-(Fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
CID 69350282

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane (CID 91210333) is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane is Cn1nc(C(F)(F)F)cc1OB=O.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane?
The InChIKey is UGKXXJGRJWHCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BF3N2O2/c1-11-4(13-6-12)2-3(10-11)5(7,8)9/h2H,1H3.
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane?
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane has a molecular weight of 191.91 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-oxoborane is sourced from PubChem (CID 91210333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).