3,5-Dimethyl-1H-pyrazole-1-acetic acid - CAS 16034-49-4
Catalog: |
BB011625 |
Product Name: |
3,5-Dimethyl-1H-pyrazole-1-acetic acid |
CAS: |
16034-49-4 |
Synonyms: |
2-(3,5-dimethylpyrazol-1-yl)acetic acid |
IUPAC Name: | 2-(3,5-dimethylpyrazol-1-yl)acetic acid |
Description: | 3,5-Dimethyl-1H-pyrazole-1-acetic acid (CAS# 16034-49-4) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CC1=CC(=NN1CC(=O)O)C |
InChI: | InChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11) |
InChI Key: | JYSWEDYPQJOEPO-UHFFFAOYSA-N |
Boiling Point: | 306.8 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.23 g/cm3 |
Appearance: | Solid |
LogP: | 0.58450 |
GHS Hazard Statement: | H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021065898-A1 | Azepan derivative | 20190930 |
WO-2020132566-A1 | Sting pyrazole agonists and uses thereof | 20181221 |
AU-2018307888-A1 | Therapeutic agent or prophylactic agent for alopecia areata | 20170727 |
CN-110913859-A | Therapeutic or prophylactic agent for round alopecia | 20170727 |
EP-3659602-A1 | Therapeutic agent or prophylactic agent for alopecia areata | 20170727 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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