1,4-Dimethylpyrazole - CAS 1072-68-0
Catalog: |
BB002014 |
Product Name: |
1,4-Dimethylpyrazole |
CAS: |
1072-68-0 |
Synonyms: |
1,4-dimethylpyrazole; 1,4-dimethylpyrazole |
IUPAC Name: | 1,4-dimethylpyrazole |
Description: | 1,4-Dimethylpyrazole (CAS# 1072-68-0) is a useful research chemical. |
Molecular Weight: | 96.13 |
Molecular Formula: | C5H8N2 |
Canonical SMILES: | CC1=CN(N=C1)C |
InChI: | InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3 |
InChI Key: | SZQCPPRPWDXLMM-UHFFFAOYSA-N |
Boiling Point: | 145.6 °C at 760 mmHg |
Density: | 0.98 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01075158 |
LogP: | 0.72850 |
GHS Hazard Statement: | H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P310, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2015153683-A1 | Anti-fibrotic pyridinones | 20140402 |
WO-2015151006-A1 | Substituted purine compounds as btk inhibitors | 20140329 |
WO-2015143012-A1 | Heterocyclic compounds for use in the treatment of pi3k-gamma mediated disorders | 20140319 |
WO-2015131035-A1 | Adoptive cellular therapy using an agonist of retinoic acid receptor-related orphan receptor gamma & related therapeutic methods | 20140227 |
WO-2015116882-A1 | Macrocyclic factor xia inhibitors condensed with heterocycles | 20140131 |
PMID | Publication Date | Title | Journal |
15863882 | 20050501 | The essential oils from Zanthoxylum schinifolium pericarp induce apoptosis of HepG2 human hepatoma cells through increased production of reactive oxygen species | Biological & pharmaceutical bulletin |
15133211 | 20040501 | Orally active CCR5 antagonists as anti-HIV-1 agents: synthesis and biological activity of 1-benzothiepine 1,1-dioxide and 1-benzazepine derivatives containing a tertiary amine moiety | Chemical & pharmaceutical bulletin |
Complexity: | 63.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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