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

C6H9N2Na — CID 134910320

IUPACsodium 3,4,5-trimethylpyrazol-1-ide
SMILESCc1n[n-]c(C)c1C.[Na+]
InChIInChI=1S/C6H9N2.Na/c1-4-5(2)7-8-6(4)3;/h1-3H3;/q-1;+1
InChIKeyRDRANWGYJCPODD-UHFFFAOYSA-N
MW132.14 g/mol
LogP-2.03
Rot. Bonds

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

sodium 3,4,5-trimethylpyrazol-1-ide (PubChem CID 134910320) has the molecular formula C6H9N2Na and a molecular weight of 132.14 g/mol. Its IUPAC name is sodium 3,4,5-trimethylpyrazol-1-ide.

Molecular Properties

Compound Namesodium 3,4,5-trimethylpyrazol-1-ide
PubChem CID134910320
Molecular FormulaC6H9N2Na
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Namesodium 3,4,5-trimethylpyrazol-1-ide
SMILESCc1n[n-]c(C)c1C.[Na+]
InChIInChI=1S/C6H9N2.Na/c1-4-5(2)7-8-6(4)3;/h1-3H3;/q-1;+1
InChIKeyRDRANWGYJCPODD-UHFFFAOYSA-N
XLogP-2.03
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze sodium 3,4,5-trimethylpyrazol-1-ide 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

3,4,5-Trimethylpyrazole
CID 138528
3,5-Dimethyl-4-ethylpyrazole
CID 572877
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
N,N,3,4,5-pentamethylpyrazole-1-sulfonamide
CID 2986231
(1-Hydroxy-3,5-dimethylpyrazol-4-yl)methanamine
CID 71561433
1,2,3-Triazine, 4,5,6-trimethyl-
CID 141767
3,4,5-Trimethyl-1H-pyrazol-1-amine
CID 12674537
3-(fluoromethyl)-4,5-dimethyl-1H-pyrazole
CID 68210483
4-Fluoro-1-iodo-3,5-dimethylpyrazole
CID 129180754
1-Fluoro-3,4,5-trimethylpyrazole
CID 143436393
4,5-Dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide
CID 154462921
4,5-Dimethyl-3-(trifluoromethyl)pyrazole-1-sulfinate
CID 174905849

Frequently Asked Questions

What is the IUPAC name of sodium 3,4,5-trimethylpyrazol-1-ide?
The IUPAC name of sodium 3,4,5-trimethylpyrazol-1-ide (CID 134910320) is sodium 3,4,5-trimethylpyrazol-1-ide.
What is the SMILES notation for sodium 3,4,5-trimethylpyrazol-1-ide?
The canonical SMILES for sodium 3,4,5-trimethylpyrazol-1-ide is Cc1n[n-]c(C)c1C.[Na+].
What is the InChIKey of sodium 3,4,5-trimethylpyrazol-1-ide?
The InChIKey is RDRANWGYJCPODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2.Na/c1-4-5(2)7-8-6(4)3;/h1-3H3;/q-1;+1.
What are the key properties of sodium 3,4,5-trimethylpyrazol-1-ide?
sodium 3,4,5-trimethylpyrazol-1-ide has a molecular weight of 132.14 g/mol, XLogP of -2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3,4,5-trimethylpyrazol-1-ide is sourced from PubChem (CID 134910320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).