UCSF

ZINC00158733

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 10 Yes

Popular Name: 1,3-dimethyl-1H-pyrazole-5-carboxylic acid 1,3-dimethyl-1H-pyrazole-5-carbo…

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CAS Numbers: 5744-56-9 , [5744-56-9]

Download: MOL2 SDF SMILES Flexibase

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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) 0.42 2.5 -43.91 0 4 -1 58 139.134 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 208-213° Oakwood Chemical
Mp [°C] 209 - 211 Acros Organics
MP 209...211 Enamine Building Blocks
MP 212 - 214 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0201188A2; EP0658547A1; EP0658547B1; EP0695748A1; EP0695748B1; EP0757987A1; US4663326; US4666908; US5589439; US5817829 IBM Patent Data
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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