potassium;ethane;5-methanidyl-1-methylpyrazole

C7H13KN2 — CID 168886723

IUPACpotassium;ethane;5-methanidyl-1-methylpyrazole
SMILESCC.[CH2-]c1ccnn1C.[K+]
InChIInChI=1S/C5H7N2.C2H6.K/c1-5-3-4-6-7(5)2;1-2;/h3-4H,1H2,2H3;1-2H3;/q-1;;+1
InChIKeyRLPLCOJAMKDVKE-UHFFFAOYSA-N
MW164.29 g/mol
LogP-1.37
Rot. Bonds

About potassium;ethane;5-methanidyl-1-methylpyrazole

potassium;ethane;5-methanidyl-1-methylpyrazole (PubChem CID 168886723) has the molecular formula C7H13KN2 and a molecular weight of 164.29 g/mol. Its IUPAC name is potassium;ethane;5-methanidyl-1-methylpyrazole.

Molecular Properties

Compound Namepotassium;ethane;5-methanidyl-1-methylpyrazole
PubChem CID168886723
Molecular FormulaC7H13KN2
Molecular Weight164.29 g/mol
Exact Mass164.07
IUPAC Namepotassium;ethane;5-methanidyl-1-methylpyrazole
SMILESCC.[CH2-]c1ccnn1C.[K+]
InChIInChI=1S/C5H7N2.C2H6.K/c1-5-3-4-6-7(5)2;1-2;/h3-4H,1H2,2H3;1-2H3;/q-1;;+1
InChIKeyRLPLCOJAMKDVKE-UHFFFAOYSA-N
XLogP-1.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-1-methylpyrazole
CID 59589503
butane;1,5-dimethylpyrazole;ethane
CID 142280941
2,4-dimethylpyridazin-3-one;ethane
CID 145471849
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
CID 89113769
CID 89113769
N,N,2-trimethylpyrazol-3-amine
CID 70700698
5-(iodomethyl)-1-methylpyrazole
CID 126698907
ethane;5-ethoxy-1-methylpyrazole;propane
CID 154649349
5-(2-iodopropan-2-yl)-1-methylpyrazole
CID 129132491
1-methyl-5-(2-phenylethenyl)pyrazole
CID 71401987
methanol;2-methylpyrazole-3-carbaldehyde
CID 143813492
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;5-methanidyl-1-methylpyrazole?
The IUPAC name of potassium;ethane;5-methanidyl-1-methylpyrazole (CID 168886723) is potassium;ethane;5-methanidyl-1-methylpyrazole.
What is the SMILES notation for potassium;ethane;5-methanidyl-1-methylpyrazole?
The canonical SMILES for potassium;ethane;5-methanidyl-1-methylpyrazole is CC.[CH2-]c1ccnn1C.[K+].
What is the InChIKey of potassium;ethane;5-methanidyl-1-methylpyrazole?
The InChIKey is RLPLCOJAMKDVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.C2H6.K/c1-5-3-4-6-7(5)2;1-2;/h3-4H,1H2,2H3;1-2H3;/q-1;;+1.
What are the key properties of potassium;ethane;5-methanidyl-1-methylpyrazole?
potassium;ethane;5-methanidyl-1-methylpyrazole has a molecular weight of 164.29 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;5-methanidyl-1-methylpyrazole is sourced from PubChem (CID 168886723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).