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1H-Pyrazol-3-Amine
CAS: 1820-80-0 | C3H5N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1820-80-0
Molecular Formula:
C3H5N3
Molecular Mass:
83.09 g/mol
Names and Synonyms:
1H-Pyrazol-3-Amine
3-Amino-2H-pyrazole
1H-Pyrazol-3-amine
Pyrazole, 3-amino-
Pyrazole, 3(or 5)-amino-
3-Aminopyrazole
5-Aminopyrazole
3(5)-Aminopyrazole
5-Pyrazolamine
1H-Pyrazol-5-amine
3-Amino-1H-pyrazole
(5-1H-Pyrazolyl)amine
1H-Pyrazol-3-ylamine
NSC 76122
1H-Pyrazole-3-amine
3-AP
2H-Pyrazol-3-ylamine
Identifiers:
SMILES:
N=c1cc[nH][nH]1
InChI:
InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
Key Properties
Boiling Point
146-148 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
36-38 °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 | 83.09 g/mol | CAS Common Chemistry |
| 83.094 g/mol | RDKit | |
| 83.04834715999999 g/mol | RDKit | |
| Boiling Point | 146-148 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1NC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=JVVRJMXHNUAPHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 36-38 °C | CAS Common Chemistry |
| Name | 1H-Pyrazol-3-amine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.43 Ų | RDKit |
| LogP | -0.17773000000000005 | RDKit |
| Molar Refractivity | 20.9981 | RDKit |
