1-phenyl-1H-pyrazole-5-carboxylic acid - CAS 1133-77-3
Catalog: |
BB003163 |
Product Name: |
1-phenyl-1H-pyrazole-5-carboxylic acid |
CAS: |
1133-77-3 |
Synonyms: |
2-phenyl-3-pyrazolecarboxylic acid; 2-phenylpyrazole-3-carboxylic acid |
IUPAC Name: | 2-phenylpyrazole-3-carboxylic acid |
Description: | 1-phenyl-1H-pyrazole-5-carboxylic acid (CAS# 1133-77-3) is a useful research chemical. |
Molecular Weight: | 188.18 |
Molecular Formula: | C10H8N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C(=CC=N2)C(=O)O |
InChI: | InChI=1S/C10H8N2O2/c13-10(14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14) |
InChI Key: | FLYDUXCFCARXHI-UHFFFAOYSA-N |
Boiling Point: | 379.6 °C at 760 mmHg |
Melting Point: | 182 °C |
Purity: | 95 % |
Density: | 1.28 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.57050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
TW-202045509-A | 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivative | 20190215 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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