3,4,5-trimethylpyrazol-1-ide

C6H9N2- — CID 18717298

IUPAC3,4,5-trimethylpyrazol-1-ide
SMILESCc1n[n-]c(C)c1C
InChIInChI=1S/C6H9N2/c1-4-5(2)7-8-6(4)3/h1-3H3/q-1
InChIKeyFFHVTPRYYUJHNW-UHFFFAOYSA-N
MW109.15 g/mol
LogP0.96
Rot. Bonds

About 3,4,5-trimethylpyrazol-1-ide

3,4,5-trimethylpyrazol-1-ide (PubChem CID 18717298) has the molecular formula C6H9N2- and a molecular weight of 109.15 g/mol. Its IUPAC name is 3,4,5-trimethylpyrazol-1-ide.

Molecular Properties

Compound Name3,4,5-trimethylpyrazol-1-ide
PubChem CID18717298
Molecular FormulaC6H9N2-
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name3,4,5-trimethylpyrazol-1-ide
SMILESCc1n[n-]c(C)c1C
InChIInChI=1S/C6H9N2/c1-4-5(2)7-8-6(4)3/h1-3H3/q-1
InChIKeyFFHVTPRYYUJHNW-UHFFFAOYSA-N
XLogP0.96
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylpyrazol-1-ide?
The IUPAC name of 3,4,5-trimethylpyrazol-1-ide (CID 18717298) is 3,4,5-trimethylpyrazol-1-ide.
What is the SMILES notation for 3,4,5-trimethylpyrazol-1-ide?
The canonical SMILES for 3,4,5-trimethylpyrazol-1-ide is Cc1n[n-]c(C)c1C.
What is the InChIKey of 3,4,5-trimethylpyrazol-1-ide?
The InChIKey is FFHVTPRYYUJHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2/c1-4-5(2)7-8-6(4)3/h1-3H3/q-1.
What are the key properties of 3,4,5-trimethylpyrazol-1-ide?
3,4,5-trimethylpyrazol-1-ide has a molecular weight of 109.15 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylpyrazol-1-ide is sourced from PubChem (CID 18717298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).