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CAS 55904-61-5 4-AMINO-2 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 55904-61-5

4-AMINO-2 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251021 1g In stock Inquiry
Batchno.20250927 250mg In stock Inquiry
Batchno.20260302 5g In stock Inquiry
  • Product code: SSC-163859
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 55904-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

55904-61-5 / ethyl 4-amino-1H-pyrazole-5-carboxylate

Standard CAS: 55904-61-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55904-61-5
Multi CAS
Yes
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2,7H2,1H3,(H,8,9)
InChIKey
JLIFAQGFWIYWDA-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

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