Methyl 4-Nitropyrazole-3-carboxylate - CAS 138786-86-4
Catalog: |
BB008835 |
Product Name: |
Methyl 4-Nitropyrazole-3-carboxylate |
CAS: |
138786-86-4 |
Synonyms: |
4-nitro-1H-pyrazole-5-carboxylic acid methyl ester; methyl 4-nitro-1H-pyrazole-5-carboxylate |
IUPAC Name: | methyl 4-nitro-1H-pyrazole-5-carboxylate |
Description: | Methyl 4-Nitropyrazole-3-carboxylate (CAS# 138786-86-4) is a useful research chemical. |
Molecular Weight: | 171.11 |
Molecular Formula: | C5H5N3O4 |
Canonical SMILES: | COC(=O)C1=C(C=NN1)[N+](=O)[O-] |
InChI: | InChI=1S/C5H5N3O4/c1-12-5(9)4-3(8(10)11)2-6-7-4/h2H,1H3,(H,6,7) |
InChI Key: | ARAFBUCGMOKZMI-UHFFFAOYSA-N |
LogP: | 0.62770 |
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 |
WO-2021154661-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | 20200127 |
WO-2021154662-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | 20200127 |
WO-2021154663-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | 20200127 |
WO-2021154665-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | 20200127 |
WO-2021154668-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | 20200127 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.02800565 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.02800565 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS