1-Isopropyl-1H-pyrazole-3-acetic Acid - CAS 1260658-97-6
Catalog: |
BB006318 |
Product Name: |
1-Isopropyl-1H-pyrazole-3-acetic Acid |
CAS: |
1260658-97-6 |
Synonyms: |
2-(1-propan-2-yl-3-pyrazolyl)acetic acid; 2-(1-propan-2-ylpyrazol-3-yl)acetic acid |
IUPAC Name: | 2-(1-propan-2-ylpyrazol-3-yl)acetic acid |
Description: | 1-Isopropyl-1H-pyrazole-3-acetic Acid (CAS# 1260658-97-6) is a useful research chemical. |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CC(C)N1C=CC(=N1)CC(=O)O |
InChI: | InChI=1S/C8H12N2O2/c1-6(2)10-4-3-7(9-10)5-8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12) |
InChI Key: | ZFOZATJOXAYSNN-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2020095177-A1 | Inhibitors of human immunodeficiency virus replication | 20181105 |
EP-3877387-A1 | Inhibitors of human immunodeficiency virus replication | 20181105 |
WO-2019198024-A1 | 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
EP-3774775-A1 | 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
US-2021024503-A1 | 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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