3-Iodo-4-methyl-1H-pyrazole - CAS 24086-18-8
Catalog: |
BB060703 |
Product Name: |
3-Iodo-4-methyl-1H-pyrazole |
CAS: |
24086-18-8 |
Synonyms: |
5-Iodo-4-methyl-1H-pyrazole; 3-iodo-4-methyl-1H-pyrazole |
IUPAC Name: | 5-iodo-4-methyl-1H-pyrazole |
Description: | 3-Iodo-4-methyl-1H-pyrazole is an intermediate used to prepare (acylaryl)imidazoles as lipid synthesis modulators. It is also used to synthesize aminopyridines as GPBAR1 agonists useful in the treatment of type II diabetes. |
Molecular Weight: | 208 |
Molecular Formula: | C4H5IN2 |
Canonical SMILES: | CC1=C(NN=C1)I |
InChI: | InChI=1S/C4H5IN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7) |
InChI Key: | LLMUDCINLAXPAP-UHFFFAOYSA-N |
References: | Oslob, J., et al. PCT Int. Appl. (2014), WO 2014008197 A1 20140109; Bissantz, C., et al. PCT Int. Appl., WO 2012117000 A1 20120907 (2012). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2022049011-A1 | Imidazole-pyrazole derivatives with anti-bacterial properties | 20200901 |
WO-2022040600-A1 | Compounds as glp-1r agonists | 20200821 |
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US-2020095239-A1 | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors | 20180921 |
TW-202024056-A | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors | 20180921 |
CN-112672791-A | N-substituted dioxocyclobutenylamino-3-hydroxy-pyridinecarboxamides useful as CCR6 inhibitors | 20180921 |
US-10975065-B2 | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors | 20180921 |
BR-112021003956-A2 | n-substituted dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors | 20180921 |
IL-281634-D0 | Diacosocyclobutanylamino-3-hydroxy-picolin Amide is converted and used as a ccr6 inhibitor | 20180921 |
KR-20210046717-A | N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamide useful as a CCR6 inhibitor | 20180921 |
Complexity: | 66.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.94975 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.94975 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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