3-amino-1-methyl-1H-pyrazole-4-carboxylic acid - CAS 151733-97-0
Catalog: |
BB010707 |
Product Name: |
3-amino-1-methyl-1H-pyrazole-4-carboxylic acid |
CAS: |
151733-97-0 |
Synonyms: |
3-amino-1-methyl-4-pyrazolecarboxylic acid; 3-amino-1-methylpyrazole-4-carboxylic acid |
IUPAC Name: | 3-amino-1-methylpyrazole-4-carboxylic acid |
Description: | 3-amino-1-methyl-1H-pyrazole-4-carboxylic acid (CAS# 151733-97-0) is a useful research chemical. |
Molecular Weight: | 141.13 |
Molecular Formula: | C5H7N3O2 |
Canonical SMILES: | CN1C=C(C(=N1)N)C(=O)O |
InChI: | InChI=1S/C5H7N3O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H2,6,7)(H,9,10) |
InChI Key: | HWHYJHNAHXOFAA-UHFFFAOYSA-N |
MDL: | MFCD04196111 |
LogP: | 3.08910 |
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 |
TW-202010740-A | MCL-1 inhibitors | 20180514 |
US-10703733-B2 | MCL-1 inhibitors | 20180514 |
US-2019352271-A1 | Mcl-1 inhibitors | 20180514 |
WO-2019222112-A1 | Mcl-1 inhibitors | 20180514 |
AU-2019269391-A1 | MCL-1 inhibitors | 20180514 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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