5-(Aminomethyl)-1-methylpyrazole - CAS 863548-52-1
Catalog: |
BB037898 |
Product Name: |
5-(Aminomethyl)-1-methylpyrazole |
CAS: |
863548-52-1 |
Synonyms: |
(2-methyl-3-pyrazolyl)methanamine; (2-methylpyrazol-3-yl)methanamine |
IUPAC Name: | (2-methylpyrazol-3-yl)methanamine |
Description: | 5-(Aminomethyl)-1-methylpyrazole (CAS# 863548-52-1) is used as a reactant in the preparation of potent and orally bioavailable GPR142 agonists as novel insulin secretagogues for the treatment of type 2 diabetes. |
Molecular Weight: | 111.15 |
Molecular Formula: | C5H9N3 |
Canonical SMILES: | CN1C(=CC=N1)CN |
InChI: | InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3 |
InChI Key: | XNTFQMKXUFFUQO-UHFFFAOYSA-N |
Boiling Point: | 220 ℃ |
Density: | 1.16 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD03419808 |
LogP: | 0.57910 |
GHS Hazard Statement: | H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.079647300 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.079647300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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