3-(5-Amino-3-methyl-1H-pyrazol-1-yl)-Benzoic Acid Hydrochloride - CAS 1620390-43-3
Catalog: |
BB074581 |
Product Name: |
3-(5-Amino-3-methyl-1H-pyrazol-1-yl)-Benzoic Acid Hydrochloride |
CAS: |
1620390-43-3 |
Synonyms: |
3-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid hydrochloride; 3-(5-amino-3-methylpyrazol-1-yl)benzoic acid; hydrochloride; 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)-Benzoic Acid Hydrochloride; 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)-BenzoicAcidHydrochloride |
IUPAC Name: | 3-(5-amino-3-methylpyrazol-1-yl)benzoic acidhydrochloride |
Molecular Weight: | 253.68 |
Molecular Formula: | C11H12ClN3O2 |
Canonical SMILES: | CC1=NN(C(=C1)N)C2=CC=CC(=C2)C(=O)O.Cl |
InChI: | InChI=1S/C11H11N3O2.ClH/c1-7-5-10(12)14(13-7)9-4-2-3-8(6-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)1H |
InChI Key: | GPOBSOIBSSNGLN-UHFFFAOYSA-N |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.0618043 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.0618043 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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