5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid - CAS 51649-80-0
Catalog: |
BB027535 |
Product Name: |
5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid |
CAS: |
51649-80-0 |
Synonyms: |
5-amino-1-phenylpyrazole-4-carboxylic acid |
IUPAC Name: | 5-amino-1-phenylpyrazole-4-carboxylic acid |
Description: | 5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS# 51649-80-0) is a useful research chemical. |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H9N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N |
InChI: | InChI=1S/C10H9N3O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15) |
InChI Key: | BFMGSMOYBHOHGI-UHFFFAOYSA-N |
Boiling Point: | 433.8 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
MDL: | MFCD00220607 |
LogP: | 1.73390 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10287294-B2 | Compounds for use in treating or preventing cancerous diseases | 20150708 |
US-2018208597-A1 | Novel compounds for use in treating or preventing cancerous diseases | 20150708 |
US-10174032-B2 | Heterocyclic compound classes for signaling modulation | 20140505 |
US-2015315207-A1 | Novel Heterocyclic Compound Classes for Signaling Modulation | 20140505 |
US-2016145263-A1 | Tetrahydroisoquinolines containing substituted azoles as factor xia inhibitors | 20130325 |
PMID | Publication Date | Title | Journal |
21202940 | 20080621 | 5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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