4-(4-Amino-5-methyl-1H-pyrazol-1-yl)benzoic Acid - CAS 956200-57-0
Catalog: |
BB061440 |
Product Name: |
4-(4-Amino-5-methyl-1H-pyrazol-1-yl)benzoic Acid |
CAS: |
956200-57-0 |
Synonyms: |
4-(4-amino-5-methyl-1H-pyrazol-1-yl)benzoic acid; 4-(4-amino-5-methylpyrazol-1-yl)benzoic acid; 4-(4-amino-5-methyl-1H-pyrazol-1-yl)benzoicacid; Benzoic acid, 4-(4-amino-5-methyl-1H-pyrazol-1-yl)- |
IUPAC Name: | 4-(4-amino-5-methylpyrazol-1-yl)benzoic acid |
Molecular Weight: | 217.22 |
Molecular Formula: | C11H11N3O2 |
Canonical SMILES: | CC1=C(C=NN1C2=CC=C(C=C2)C(=O)O)N |
InChI: | InChI=1S/C11H11N3O2/c1-7-10(12)6-13-14(7)9-4-2-8(3-5-9)11(15)16/h2-6H,12H2,1H3,(H,15,16) |
InChI Key: | IOMHGYMGXPXYBZ-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.085126602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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