1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid - CAS 481065-92-3
Catalog: |
BB026492 |
Product Name: |
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
481065-92-3 |
Synonyms: |
1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxylic acid; 1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid |
IUPAC Name: | 1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid |
Description: | 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid (CAS# 481065-92-3) is a useful research chemical. |
Molecular Weight: | 194.11 |
Molecular Formula: | C6H5F3N2O2 |
Canonical SMILES: | CN1C(=CC(=N1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-3(10-11)5(12)13/h2H,1H3,(H,12,13) |
InChI Key: | QMIUBFUPVMQMRE-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD03074319 |
LogP: | 1.13710 |
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 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
BR-112020008839-A2 | modulators of the integrated stress pathway | 20171102 |
EP-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
KR-20200096522-A | Modulators of the integrated stress pathway | 20171102 |
US-2020345727-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03031189 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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