3-Amino-4-iodo-1H-pyrazole - CAS 81542-51-0
Catalog: |
BB036665 |
Product Name: |
3-Amino-4-iodo-1H-pyrazole |
CAS: |
81542-51-0 |
Synonyms: |
4-iodo-1H-pyrazol-5-amine |
IUPAC Name: | 4-iodo-1H-pyrazol-5-amine |
Description: | 3-Amino-4-iodo-1H-pyrazole (CAS# 81542-51-0) is a useful research chemical. |
Molecular Weight: | 208.99 |
Molecular Formula: | C3H4IN3 |
Canonical SMILES: | C1=NNC(=C1I)N |
InChI: | InChI=1S/C3H4IN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7) |
InChI Key: | CPVCVVMJPIOKMN-UHFFFAOYSA-N |
MDL: | MFCD12022325 |
LogP: | 0.52660 |
GHS Hazard Statement: | H302 (97.5%): 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 |
RU-2548363-C2 | SELECTIVE INHIBITORS OF Haspin kinase | 20120125 |
WO-2011014520-A2 | Compounds and compositions as modulators of gpr119 activity | 20090729 |
US-2006025426-A1 | Tyrosine kinase inhibitors | 20021211 |
US-7550470-B2 | Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors | 20021211 |
WO-2004052315-A2 | Tyrosine kinase inhibitors | 20021211 |
Complexity: | 67.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.94499 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.94499 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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