CAS RN: 1260243-04-6
Ethyl 5-aMino-1H-pyrazole-4-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100g | In stock | Tianjin | Inquiry |
| Batchno.20250301 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250625 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260608 | 500g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260323 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS1260243-04-6
- Purity/Analytical Methods: >99.0%
1260243-04-6 / ethyl 5-amino-1H-pyrazole-4-carboxylate
Basic Information
CAS
1260243-04-6
Multi CAS
No
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
SMILES
CCOC(=O)C1=C(NN=C1)N
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
InChIKey
YPXGHKWOJXQLQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.96
TPSA
81
LogP / Solubility
WLOGP
0.17
MLOGP
0.14
XLogP3
0.6
Consensus LogP
0.3
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (12.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (81.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (81.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (83.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501
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