Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:41442
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄H₇N₃
Molecular Mass
97.11848
Exact Mass
97.06399724
Charge
0
InChI
InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
InChIKey
JESRNIJXVIFVOV-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1N
Isomeric Smiles
c1(n(ncc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34256616
LogD (pH = 7.4)
-0.33858013
Log P
-0.33852908
Molar Refractivity
38.9151
Polarizability
10.040649
Polar Surface Area
43.84
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC Traditional name
•
IUPAC name
Registration numbers
•
PubChem CID
•
PubChem SID
•
MDL Number
•
CAS Number
Properties
•
Safety Information
•
Product Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
TRC
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
044579
Apollo Scientific
OR8822
Maybridge
GK03066
Key Organics
4T-0063
TRC
A617475
Chemik
CHH11005
Enamine
EN300-55088
Bide Pharmatech
BD9450
A&J Pharmtech
AJA-O6878
Academic Data
PubChem
136927
Names and Identifiers
Synonyms
1-Methyl-1H-pyrazol-5-amine
5-Amino-1-methyl-1H-pyrazole 97%
1-methyl-1H-pyrazol-5-ylamine
1-Methyl-1H-pyrazol-5-amine
2-Methyl-2H-pyrazol-3-amine
5-Amino-1-methylpyrazole
NSC 76510
1-Methyl-5-aminopyrazole
(1-Methyl-1H-pyrazol-5-yl)amine
5-Amino-1-methyl-1H-pyrazole
IUPAC Traditional name
2-methylpyrazol-3-amine
IUPAC name
1-methyl-1H-pyrazol-5-amine
Registration numbers
PubChem CID
136927
PubChem SID
162046205
MDL Number
MFCD00068156
CAS Number
1192-21-8
Molecule Details
TRC
A617475
An interesting synthetic intermediate.
References
PubChem Literature
From Data Sources
•
Zhang, H., et al.: Bioorg. Med. Chem., 16, 222 (2007)
•
McKeown, S., et al.: Bioorg. Med. Chem. Lett., 17, 1750 (2007)
Bioactivity
PubChem BioAssay
Properties
Safety Information
Storage Warning
IRRITANT
Source
Irritant
Source
MSDS Link
Download link
Source
Download link
Source
TSCA Listed
false
Source
Product Information
Purity
95+%
Source
97%
Source
> 95%
Source
95%
Source
98%
Source
Certificate of Analysis
Download link
Source
Physical Property
Melting Point
72-74°C
Source
83-85°C
Source
72 - 74 °C
Source
71-72°C
Source
70 - 72°C
Source
Boiling Point
95-96°C/0.5mm
Source
Apperance
Brown Solid
Source
Chloroform
Source
Ethyl Acetate
Source
Methanol
Source
-0.189
Source
Solubility
Hydrophobicity(logP)