1-(3-Aminophenyl)-5-methyl-1H-pyrazole-4-carboxylic Acid Ethyl Ester - CAS 209540-02-3
Catalog: |
BB054970 |
Product Name: |
1-(3-Aminophenyl)-5-methyl-1H-pyrazole-4-carboxylic Acid Ethyl Ester |
CAS: |
209540-02-3 |
Synonyms: |
ethyl 1-(3-aminophenyl)-5-methyl-1H-pyrazole-4-carboxylate; 1-(3-Aminophenyl)-5-methyl-1H-pyrazole-4-carboxylic Acid Ethyl Ester; ethyl 1-(3-aminophenyl)-5-methylpyrazole-4-carboxylate |
IUPAC Name: | ethyl 1-(3-aminophenyl)-5-methylpyrazole-4-carboxylate |
Description: | 1-(3-Aminophenyl)-5-methyl-1H-pyrazole-4-carboxylic Acid Ethyl Ester is used as a reagent in the synthesis of N-[(substituted five-membered heteroaryl)carbonyl]guanidine derivatives which are used as Na+/H+ exchanger inhibitors for the treatment of diseases. |
Molecular Weight: | 245.28 |
Molecular Formula: | C13H15N3O2 |
Canonical SMILES: | CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)N)C |
InChI: | InChI=1S/C13H15N3O2/c1-3-18-13(17)12-8-15-16(9(12)2)11-6-4-5-10(14)7-11/h4-8H,3,14H2,1-2H3 |
InChI Key: | UTFMLGYOBKJDTI-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.11642673 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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