3-Amino-5-(4-pyridyl)-1H-pyrazole - CAS 91912-53-7
Catalog: |
BB040382 |
Product Name: |
3-Amino-5-(4-pyridyl)-1H-pyrazole |
CAS: |
91912-53-7 |
Synonyms: |
5-pyridin-4-yl-1H-pyrazol-3-amine; 5-pyridin-4-yl-1H-pyrazol-3-amine |
IUPAC Name: | 5-pyridin-4-yl-1H-pyrazol-3-amine |
Description: | 3-Amino-5-(4-pyridyl)-1H-pyrazole (CAS# 91912-53-7) is a reagent used in the preparation of small molecule inhibitor IL-12/23 in the treatment of autoimmune and autoinflammatory diseases. |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | C1=CN=CC=C1C2=CC(=NN2)N |
InChI: | InChI=1S/C8H8N4/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h1-5H,(H3,9,11,12) |
InChI Key: | MDRGSALNBWSYJX-UHFFFAOYSA-N |
Boiling Point: | 465.369 ℃ at 760 mmHg |
Density: | 1.315 g/cm3 |
LogP: | 1.63510 |
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 |
CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
WO-2021183439-A1 | Substituted furo[3,2-d]pyrimidines and uses thereof | 20200309 |
WO-2021146192-A1 | Substituted pyrazolo-pyrimidines and uses thereof | 20200113 |
WO-2021113633-A1 | Fused tricyclic heterocyclic compounds as inhibitors of pikfyve kinase useful for the treatment of neurological diseases | 20191205 |
WO-2020178316-A1 | 5- or 7-azaindazoles as beta-lactamase inhibitors | 20190305 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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