3-(1H-Pyrazol-1-yl)butanoic acid - CAS 890092-84-9
Catalog: |
BB039322 |
Product Name: |
3-(1H-Pyrazol-1-yl)butanoic acid |
CAS: |
890092-84-9 |
Synonyms: |
3-pyrazol-1-ylbutanoic acid |
IUPAC Name: | 3-pyrazol-1-ylbutanoic acid |
Description: | 3-(1H-Pyrazol-1-yl)butanoic acid (CAS# 890092-84-9) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CC(CC(=O)O)N1C=CC=N1 |
InChI: | InChI=1S/C7H10N2O2/c1-6(5-7(10)11)9-4-2-3-8-9/h2-4,6H,5H2,1H3,(H,10,11) |
InChI Key: | LLMHIHGJTUQQRA-UHFFFAOYSA-N |
Boiling Point: | 301.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.22 g/cm3 |
MDL: | MFCD06589818 |
LogP: | 0.91880 |
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 |
CN-111808105-A | Pyrimidone pyrazole compound containing polycyclic group, preparation method and application thereof | 20190411 |
CA-2972797-A1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
EP-3240790-A1 | Pyrrolotriazinone and imidazotriazinone derivatives as ubiquitin-specific protease 7 (usp7) inhibitors for the treatment of cancer | 20141230 |
EP-3240791-A1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
EP-3240791-B1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
Complexity: | 149 |
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: | 3 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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