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CAS 105434-90-0 ethyl 5-amino-1H-pyrazole-3-carboxylate molecular structure lightbox
CAS RN: 105434-90-0

ethyl 5-amino-1H-pyrazole-3-carboxylate

  • Product code: SSC-007177
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.25g, 25g, 100g, 500g
  • Available purity: >97%, ≥95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 105434-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 4 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Hong Kong Inquiry
100g >97% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

105434-90-0 / ethyl 3-amino-1H-pyrazole-5-carboxylate

ethyl 5-amino-1H-pyrazole-3-carboxylate | DTXSID60401913 | RefChem:344247

Standard CAS: 105434-90-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105434-90-0
Multi CAS
Yes
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
SMILES
CCOC(=O)C1=CC(=NN1)N
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)
InChIKey
CPQKGGOPHDHAMN-UHFFFAOYSA-N
Synonyms
ethyl 5-amino-1H-pyrazole-3-carboxylate DTXSID60401913 RefChem:344247 DTXCID50352768 823-727-2

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
0.4
Consensus LogP
0.24
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
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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