sodium;5-methyl-1H-pyrazole;tetrafluoroborate

C4H6BF4N2Na — CID 174896612

IUPACsodium;5-methyl-1H-pyrazole;tetrafluoroborate
SMILESCc1ccn[nH]1.F[B-](F)(F)F.[Na+]
InChIInChI=1S/C4H6N2.BF4.Na/c1-4-2-3-5-6-4;2-1(3,4)5;/h2-3H,1H3,(H,5,6);;/q;-1;+1
InChIKeyKKHXIURMYPJKGI-UHFFFAOYSA-N
MW191.90 g/mol
LogP-0.98
Rot. Bonds

About sodium;5-methyl-1H-pyrazole;tetrafluoroborate

sodium;5-methyl-1H-pyrazole;tetrafluoroborate (PubChem CID 174896612) has the molecular formula C4H6BF4N2Na and a molecular weight of 191.90 g/mol. Its IUPAC name is sodium;5-methyl-1H-pyrazole;tetrafluoroborate.

Molecular Properties

Compound Namesodium;5-methyl-1H-pyrazole;tetrafluoroborate
PubChem CID174896612
Molecular FormulaC4H6BF4N2Na
Molecular Weight191.90 g/mol
Exact Mass192.05
IUPAC Namesodium;5-methyl-1H-pyrazole;tetrafluoroborate
SMILESCc1ccn[nH]1.F[B-](F)(F)F.[Na+]
InChIInChI=1S/C4H6N2.BF4.Na/c1-4-2-3-5-6-4;2-1(3,4)5;/h2-3H,1H3,(H,5,6);;/q;-1;+1
InChIKeyKKHXIURMYPJKGI-UHFFFAOYSA-N
XLogP-0.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.90
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium;5-methyl-1H-pyrazole;tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1H-pyrazole;sulfuric acid
CID 86138187
ethane;5-methyl-1H-pyrazole;phenol
CID 90749173
5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride
CID 173393299
2-methylprop-2-enoic acid;5-methyl-1H-pyrazole
CID 175313871
bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole
CID 144866527
methyl(1H-pyrazol-5-yl)azanide
CID 135700392
2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
CID 178111368
copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
CID 139058362
5-(1-fluoroethyl)-1H-pyrazole
CID 147386322
2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine
CID 152552822
5-(2-fluoro-3-methylphenyl)-1H-pyrazole
CID 83808322
3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole
CID 160705854

Frequently Asked Questions

What is the IUPAC name of sodium;5-methyl-1H-pyrazole;tetrafluoroborate?
The IUPAC name of sodium;5-methyl-1H-pyrazole;tetrafluoroborate (CID 174896612) is sodium;5-methyl-1H-pyrazole;tetrafluoroborate.
What is the SMILES notation for sodium;5-methyl-1H-pyrazole;tetrafluoroborate?
The canonical SMILES for sodium;5-methyl-1H-pyrazole;tetrafluoroborate is Cc1ccn[nH]1.F[B-](F)(F)F.[Na+].
What is the InChIKey of sodium;5-methyl-1H-pyrazole;tetrafluoroborate?
The InChIKey is KKHXIURMYPJKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.BF4.Na/c1-4-2-3-5-6-4;2-1(3,4)5;/h2-3H,1H3,(H,5,6);;/q;-1;+1.
What are the key properties of sodium;5-methyl-1H-pyrazole;tetrafluoroborate?
sodium;5-methyl-1H-pyrazole;tetrafluoroborate has a molecular weight of 191.90 g/mol, XLogP of -0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-methyl-1H-pyrazole;tetrafluoroborate is sourced from PubChem (CID 174896612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).