1-Isopropylpyrazole-5-carboxylic Acid - CAS 920006-32-2
Catalog: |
BB040407 |
Product Name: |
1-Isopropylpyrazole-5-carboxylic Acid |
CAS: |
920006-32-2 |
Synonyms: |
2-propan-2-yl-3-pyrazolecarboxylic acid; 2-propan-2-ylpyrazole-3-carboxylic acid |
IUPAC Name: | 2-propan-2-ylpyrazole-3-carboxylic acid |
Description: | 1-Isopropylpyrazole-5-carboxylic Acid (CAS# 920006-32-2) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CC(C)N1C(=CC=N1)C(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-5(2)9-6(7(10)11)3-4-8-9/h3-5H,1-2H3,(H,10,11) |
InChI Key: | ZIHRJZBCLMMKTC-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 1.16220 |
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 |
US-2020247785-A1 | IL-17 Ligands And Uses Thereof | 20190206 |
WO-2020163554-A1 | Il-17a modulators and uses thereof | 20190206 |
TW-202045481-A | Il-17a modulators and uses thereof | 20190206 |
WO-2020127685-A1 | Amino-acid anilides as small molecule modulators of il-17 | 20181219 |
TW-202039473-A | Small molecule modulators of il-17 | 20181219 |
Complexity: | 159 |
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: | 0.8 |
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