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1-Methyl-1H-Pyrazol-5-Amine
CAS: 1192-21-8 | C4H7N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1192-21-8
Molecular Formula:
C4H7N3
Molecular Mass:
97.12 g/mol
Names and Synonyms:
1-Methyl-1H-Pyrazol-5-Amine
1-Methyl-5-aminopyrazole
1H-Pyrazol-5-amine, 1-methyl-
Pyrazole, 5-amino-1-methyl-
1-Methyl-1H-pyrazol-5-amine
5-Amino-1-methylpyrazole
2-Methyl-2H-pyrazol-3-ylamine
3-Amino-2-methyl-2H-pyrazole
NSC 76510
(1-Methyl-1H-pyrazol-5-yl)amine
5-Amino-1-methyl-1H-pyrazole
2-Methylpyrazol-3-amine
3-Amino-2-methylpyrazole
Identifiers:
SMILES:
Cn1nccc1N
InChI:
InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
Key Properties
Boiling Point
127 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
71-72 °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 | 97.12 g/mol | CAS Common Chemistry |
| 97.12100000000001 g/mol | RDKit | |
| 97.06399722399999 g/mol | RDKit | |
| Boiling Point | 127 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | N1=CC=C(N)N1C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JESRNIJXVIFVOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71-72 °C | CAS Common Chemistry |
| Name | 1-Methyl-1H-pyrazol-5-amine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.84 Ų | RDKit |
| LogP | 0.0023000000000000798 | RDKit |
| Molar Refractivity | 27.620399999999993 | RDKit |
