UCSF

ZINC00159394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 Yes

Popular Name: 1,3,5-Trimethylpyrazole 1,3,5-Trimethylpyrazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1003-04-9 , 1072-91-9 , [1003-04-9] , [1072-91-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 3.33 -6.68 0 2 0 18 110.16 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 168-170? Alfa-Aesar
Boiling_Point 168-170° Alfa-Aesar
BP 170 TCI
BP 170°/760mm Matrix Scientific
MP 32 - 34 Enamine Building Blocks
MP 32...34 Enamine Building Blocks
Melting_Point 33-38? Alfa-Aesar
Melting_Point 33-38° Alfa-Aesar
MP 37 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.