5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde - CAS 62564-90-3
Catalog: |
BB031664 |
Product Name: |
5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde |
CAS: |
62564-90-3 |
Synonyms: |
5-amino-1-methyl-4-pyrazolecarboxaldehyde; 5-amino-1-methylpyrazole-4-carbaldehyde |
IUPAC Name: | 5-amino-1-methylpyrazole-4-carbaldehyde |
Description: | 5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde (CAS# 62564-90-3) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | CN1C(=C(C=N1)C=O)N |
InChI: | InChI=1S/C5H7N3O/c1-8-5(6)4(3-9)2-7-8/h2-3H,6H2,1H3 |
InChI Key: | NDGIYFSWJGZTRC-UHFFFAOYSA-N |
Boiling Point: | 318.556 °C at 760 mmHg |
Density: | 1.346 g/cm3 |
LogP: | 0.39600 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2018300094-A1 | 5-membered and bicyclic heterocyclic amides as inhibitors of rock | 20170712 |
CN-110869363-A | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 20170712 |
EP-3652168-A1 | 5-membered and bicyclic heterocyclic amides as inhibitors of rock | 20170712 |
KR-20200028423-A | 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK | 20170712 |
TW-201908293-A | 5 members of ROCK inhibitor and bicyclic heterocyclic guanamine | 20170712 |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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