5-Amino-3-methoxy-1-methylpyrazole - CAS 1201935-28-5
Catalog: |
BB004749 |
Product Name: |
5-Amino-3-methoxy-1-methylpyrazole |
CAS: |
1201935-28-5 |
Synonyms: |
5-methoxy-2-methyl-3-pyrazolamine; 5-methoxy-2-methylpyrazol-3-amine |
IUPAC Name: | 5-methoxy-2-methylpyrazol-3-amine |
Description: | 5-Amino-3-methoxy-1-methylpyrazole (CAS# 1201935-28-5 ) is a useful research chemical. |
Molecular Weight: | 127.14 |
Molecular Formula: | C5H9N3O |
Canonical SMILES: | CN1C(=CC(=N1)OC)N |
InChI: | InChI=1S/C5H9N3O/c1-8-4(6)3-5(7-8)9-2/h3H,6H2,1-2H3 |
InChI Key: | YFUSJUKJTGCOGP-UHFFFAOYSA-N |
LogP: | 0.59210 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2953457-A2 | Erk inhibitors and uses thereof | 20130208 |
EP-2953457-B1 | Erk inhibitors and uses thereof | 20130208 |
JP-2016509012-A | ERK inhibitors and their use | 20130208 |
KR-20150119012-A | Erk inhibitors and uses thereof | 20130208 |
TW-201446745-A | ERK inhibitor and its use | 20130208 |
Complexity: | 98.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Related Functional Groups
Amines and Anilines
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