2-(4-Amino-1-pyrazolyl)acetonitrile - CAS 1152842-04-0
Catalog: |
BB003539 |
Product Name: |
2-(4-Amino-1-pyrazolyl)acetonitrile |
CAS: |
1152842-04-0 |
Synonyms: |
2-(4-amino-1-pyrazolyl)acetonitrile; 2-(4-aminopyrazol-1-yl)acetonitrile |
IUPAC Name: | 2-(4-aminopyrazol-1-yl)acetonitrile |
Description: | 2-(4-Amino-1-pyrazolyl)acetonitrile (CAS# 1152842-04-0 ) is a useful research chemical. |
Molecular Weight: | 122.13 |
Molecular Formula: | C5H6N4 |
Canonical SMILES: | C1=C(C=NN1CC#N)N |
InChI: | InChI=1S/C5H6N4/c6-1-2-9-4-5(7)3-8-9/h3-4H,2,7H2 |
InChI Key: | XMHXCZMZXXAHRY-UHFFFAOYSA-N |
LogP: | 0.57008 |
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 |
CN-112142743-A | Heterocyclic compound, preparation method and application thereof in medicine and pharmacology | 20190628 |
WO-2020259584-A1 | Heterocyclic compounds for mediating tyrosine kinase 2 activity | 20190628 |
WO-2020119819-A1 | Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20181214 |
TW-202039474-A | Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20181214 |
CN-113227074-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods | 20181214 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.059246208 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.059246208 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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