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Ampyrone
CAS: 83-07-8 | C11H13N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83-07-8
Molecular Formula:
C11H13N3O
Molecular Mass:
203.24 g/mol
Names and Synonyms:
Ampyrone
3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-
Antipyrine, 4-amino-
4-Amino-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
4-AAP
4-Aminoantipyrine
4-Amino-1,5-dimethyl-2-phenyl-3-pyrazolone
4-Aminophenazone
Ampyrone
1-Phenyl-2,3-dimethyl-4-amino-5-pyrazolone
Aminoantipyrine
4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Aminoazophene
4-Amino-1,5-dimethyl-2-phenylpyrazolin-3-one
4-Amino-2,3-dimethyl-1-phenyl-5-pyrazolone
4-Amino-2,3-dimethyl-1-phenylpyrazolin-5-one
4-Amino-1,5-dimethyl-2-phenyl-4-pyrazolin-3-one
4-Amino-1,5-dimethyl-3-oxo-2-phenylpyrazoline
Metapirazone
Solvapyrin A
4-Amino-1-phenyl-2,3-dimethyl-5-pyrazolone
1,2-Dihydro-1,5-dimethyl-2-phenyl-4-amino-3H-pyrazol-3-one
4-Amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
NSC 60242
4-Amino-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one
(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amine
4-Amino-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
4-Amino-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one
4-Amino-1,5-dimethyl-2-phenyl-1H-pyrazol-3-one
4-Amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazole-3-one
Identifiers:
SMILES:
Cc1c(N)c(=O)n(-c2ccccc2)n1C
InChI:
InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
Key Properties
Melting Point
109 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.24 g/mol | CAS Common Chemistry |
| 203.245 g/mol | RDKit | |
| 203.105862036 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ampyrone | CAS Common Chemistry |
| Canonical SMILES | O=C1C(N)=C(N(N1C=2C=CC=CC2)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RLFWWDJHLFCNIJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109 °C | CAS Common Chemistry |
| Name | 4-Aminoantipyrine | CAS Common Chemistry |
| Ampyrone | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.95 Ų | RDKit |
| LogP | 1.0666200000000003 | RDKit |
| Molar Refractivity | 60.15940000000002 | RDKit |
