5-tert-Butyl-1H-pyrazole-3-carbaldehyde - CAS 865138-11-0
Catalog: |
BB037967 |
Product Name: |
5-tert-Butyl-1H-pyrazole-3-carbaldehyde |
CAS: |
865138-11-0 |
Synonyms: |
5-tert-butyl-1H-pyrazole-3-carbaldehyde |
IUPAC Name: | 5-tert-butyl-1H-pyrazole-3-carbaldehyde |
Description: | 5-tert-Butyl-1H-pyrazole-3-carbaldehyde (CAS# 865138-11-0) is a useful research chemical. |
Molecular Weight: | 152.19 |
Molecular Formula: | C8H12N2O |
Canonical SMILES: | CC(C)(C)C1=CC(=NN1)C=O |
InChI: | InChI=1S/C8H12N2O/c1-8(2,3)7-4-6(5-11)9-10-7/h4-5H,1-3H3,(H,9,10) |
InChI Key: | UPKIRZZYJRVBSJ-UHFFFAOYSA-N |
MDL: | MFCD12028432 |
LogP: | 1.51970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015191439-A1 | Inhibitors targeting drug-resistant influenza a | 20111206 |
US-9884832-B2 | Inhibitors targeting drug-resistant influenza A | 20111206 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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