UCSF

ZINC00049624

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 No

Popular Name: 3,5-dimethyl-4-nitro-1H-pyrazole 3,5-dimethyl-4-nitro-1H-pyrazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14531-55-6 , [14531-55-6]

Download: MOL2 SDF SMILES Flexibase

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) 0.65 2.85 -7.25 1 5 0 75 141.13 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 121 - 123 Enamine Building Blocks
MP 121...123 Enamine Building Blocks
melting_point 124 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0220735B1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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