3-Cyclopropyl-4-nitro-1H-pyrazole - CAS 1249581-67-6
Catalog: |
BB006025 |
Product Name: |
3-Cyclopropyl-4-nitro-1H-pyrazole |
CAS: |
1249581-67-6 |
Synonyms: |
5-cyclopropyl-4-nitro-1H-pyrazole; 5-cyclopropyl-4-nitro-1H-pyrazole |
IUPAC Name: | 5-cyclopropyl-4-nitro-1H-pyrazole |
Description: | 3-Cyclopropyl-4-nitro-1H-pyrazole (CAS# 1249581-67-6 ) is a useful research chemical. |
Molecular Weight: | 153.14 |
Molecular Formula: | C6H7N3O2 |
Canonical SMILES: | C1CC1C2=C(C=NN2)[N+](=O)[O-] |
InChI: | InChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8) |
InChI Key: | WRYNUOFZIOHDEB-UHFFFAOYSA-N |
LogP: | 1.71850 |
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 |
WO-2020210684-A1 | Compounds, compositions and methods | 20190411 |
TW-202104213-A | Compounds, compositions and methods | 20190411 |
CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 20190129 |
WO-2020156283-A1 | Alkynylpyrimidine or alkynylpyridine compound, and composition and application thereof | 20190129 |
US-2019359598-A1 | Heteroaromatic derivatives as nik inhibitors | 20160630 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Pyrazoles
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