1-Methyl-3-(morpholin-4-ylcarbonyl)-1H-pyrazole-5-carboxylic acid - CAS 1004727-34-7
Catalog: |
BB048623 |
Product Name: |
1-Methyl-3-(morpholin-4-ylcarbonyl)-1H-pyrazole-5-carboxylic acid |
CAS: |
1004727-34-7 |
Synonyms: |
1-Methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxylic acid; 2-Methyl-5-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid; 1-methyl-3-(4-morpholinylcarbonyl)-1H-Pyrazole-5-carboxylic acid |
IUPAC Name: | 2-methyl-5-(morpholine-4-carbonyl)pyrazole-3-carboxylic acid |
Description: | 1-Methyl-3-(morpholin-4-ylcarbonyl)-1H-pyrazole-5-carboxylic acid (CAS# 1004727-34-7 ) is a useful research chemical. |
Molecular Weight: | 239.23 |
Molecular Formula: | C10H13N3O4 |
Canonical SMILES: | CN1C(=CC(=N1)C(=O)N2CCOCC2)C(=O)O |
InChI: | InChI=1S/C10H13N3O4/c1-12-8(10(15)16)6-7(11-12)9(14)13-2-4-17-5-3-13/h6H,2-5H2,1H3,(H,15,16) |
InChI Key: | HLHCCAFKPMFFNQ-UHFFFAOYSA-N |
Boiling Point: | 523.1±50.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0906059 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0906059 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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