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CAS 57121-49-0 4-Ethynyl-1H-pyrazole molecular structure lightbox
CAS RN: 57121-49-0

4-Ethynyl-1H-pyrazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-165244
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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, 25g, 0.1g, 0.25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 57121-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 4 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
100g >97% 1 In Stock Shanghai Inquiry

57121-49-0 / 4-ethynyl-1H-pyrazole

Standard CAS: 57121-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57121-49-0
Multi CAS
No
Molecular Formula
C5H4N2
Molecular Weight
92.100000
Exact Mass
92.037448
InChI
InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)
InChIKey
UXZQDYUBSQMFIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.52
TPSA
28.68

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
1.3
Consensus LogP
0.67
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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