3,4-Dimethyl-1H-pyrazole - CAS 2820-37-3
Catalog: |
BB019790 |
Product Name: |
3,4-Dimethyl-1H-pyrazole |
CAS: |
2820-37-3 |
Synonyms: |
4,5-dimethyl-1H-pyrazole |
IUPAC Name: | 4,5-dimethyl-1H-pyrazole |
Description: | 3,4-Dimethyl-1H-pyrazole (CAS# 2820-37-3) is a compound useful in organic synthesis. |
Molecular Weight: | 96.13 |
Molecular Formula: | C5H8N2 |
Canonical SMILES: | CC1=C(NN=C1)C |
InChI: | InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7) |
InChI Key: | VQTVFIMEENGCJA-UHFFFAOYSA-N |
Appearance: | Light yellow solid |
LogP: | 1.02650 |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22655172 | 20120101 | Metal Ion Chelates as Surrogates of Nucleobases for the Recognition of Nucleic Acid Sequences: The Pd(2+) Complex of 2,6-Bis(3,5-dimethylpyrazol-1-yl)purine Riboside | Journal of nucleic acids |
21780445 | 20110501 | Organic microchemical performance of solvent resistant polycarbosilane based microreactor | Journal of nanoscience and nanotechnology |
21754005 | 20110401 | Bis(3,5-dimethyl-1H-pyrazole-κN)silver(I) hexa-fluorido-anti-monate | Acta crystallographica. Section E, Structure reports online |
22476072 | 20100101 | Nitrification inhibition activity, a novel trait in root exudates of rice | AoB PLANTS |
21583504 | 20090708 | 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline | Acta crystallographica. Section E, Structure reports online |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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