trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide

C9H8BF3N3O- — CID 106746464

IUPACtrifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ccn2nccc2c1=O)[B-](F)(F)F
InChIInChI=1S/C9H8BF3N3O/c1-7(10(11,12)13)6-15-4-5-16-8(9(15)17)2-3-14-16/h2-5H,1,6H2/q-1
InChIKeyXOHCPCCETXYMDF-UHFFFAOYSA-N
MW241.99 g/mol
LogP1.44
Rot. Bonds3

About trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746464) has the molecular formula C9H8BF3N3O- and a molecular weight of 241.99 g/mol. Its IUPAC name is trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide
PubChem CID106746464
Molecular FormulaC9H8BF3N3O-
Molecular Weight241.99 g/mol
Exact Mass242.07
IUPAC Nametrifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ccn2nccc2c1=O)[B-](F)(F)F
InChIInChI=1S/C9H8BF3N3O/c1-7(10(11,12)13)6-15-4-5-16-8(9(15)17)2-3-14-16/h2-5H,1,6H2/q-1
InChIKeyXOHCPCCETXYMDF-UHFFFAOYSA-N
XLogP1.44
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.99
LogP ≤ 51.44
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-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735055
5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735034
5-[2-(2-methoxyphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735022
5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104735134
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945
5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735025
potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide
CID 106746313
(E)-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734580
(Z)-2-methyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734602
2-amino-6-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104825110
2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid
CID 113446806
5-[(2-amino-6-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734485

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide (CID 106746464) is trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide is C=C(Cn1ccn2nccc2c1=O)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide?
The InChIKey is XOHCPCCETXYMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BF3N3O/c1-7(10(11,12)13)6-15-4-5-16-8(9(15)17)2-3-14-16/h2-5H,1,6H2/q-1.
What are the key properties of trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide has a molecular weight of 241.99 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).