Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate - CAS 16078-71-0
Catalog: |
BB011670 |
Product Name: |
Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate |
CAS: |
16078-71-0 |
Synonyms: |
ethyl 5-amino-1-phenylpyrazole-4-carboxylate |
IUPAC Name: | ethyl 5-amino-1-phenylpyrazole-4-carboxylate |
Description: | Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate (CAS# 16078-71-0) is a useful research chemical. |
Molecular Weight: | 231.25 |
Molecular Formula: | C12H13N3O2 |
Canonical SMILES: | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N |
InChI: | InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3 |
InChI Key: | AYJIUOZKKTUKKD-UHFFFAOYSA-N |
Boiling Point: | 385.1 °C at 760 mmHg |
Melting Point: | 98-102 °C |
Purity: | 95 % |
Density: | 1.25 g/cm3 |
Appearance: | Flakes |
MDL: | MFCD00020731 |
LogP: | 2.21240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020116971-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068994-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
CN-113166161-A | Compound with PDE9A inhibitory activity and pharmaceutical use thereof | 20181206 |
EP-3892623-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
TW-202003734-A | Resin composition, laminate, semiconductor wafer with resin composition layer, mounting substrate for semiconductor with resin composition layer, and semiconductor device | 20180426 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.100776666 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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