Ethyl 5-Nitropyrazole-3-carboxylate - CAS 39846-84-9
Catalog: |
BB024156 |
Product Name: |
Ethyl 5-Nitropyrazole-3-carboxylate |
CAS: |
39846-84-9 |
Synonyms: |
5-nitro-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 5-nitro-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 5-nitro-1H-pyrazole-3-carboxylate |
Description: | Ethyl 5-Nitropyrazole-3-carboxylate (CAS# 39846-84-9) is a useful research chemical. |
Molecular Weight: | 185.14 |
Molecular Formula: | C6H7N3O4 |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H7N3O4/c1-2-13-6(10)4-3-5(8-7-4)9(11)12/h3H,2H2,1H3,(H,7,8) |
InChI Key: | SNZZJCBTYCCHNG-UHFFFAOYSA-N |
MDL: | MFCD04971172 |
LogP: | 1.01780 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111423377-A | 5-amino-1H-pyrazole derivative, preparation method and medical application | 20200512 |
CN-111423377-B | 5-amino-1H-pyrazole derivative, preparation method and medical application | 20200512 |
WO-2021209552-A1 | Pyrazolo[1,5-d][1,2,4]triazine-5(4h)-acetamides as inhibitors of the nlrp3 inflammasome pathway | 20200415 |
US-11091447-B2 | UBE2K modulators and methods for their use | 20200103 |
US-2021214320-A1 | Ube2k modulators and methods for their use | 20200103 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04365571 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04365571 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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