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CAS 137-44-0 5-Pyrazolone molecular structure lightbox
CAS RN: 137-44-0

5-Pyrazolone

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260422 100g Out of stock Inquiry
Batchno.20250314 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20251027 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250314 25g In stock Shanghai Inquiry
Batchno.20250512 5g In stock Shanghai Inquiry
  • Product code: SSC-046497
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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: 10g
  • Available purity: ≥97%
  • 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 137-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

137-44-0 / 1,4-dihydropyrazol-5-one

Standard CAS: 137-44-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
137-44-0
Multi CAS
No
Molecular Formula
C3H4N2O
Molecular Weight
84.080000
Exact Mass
84.032363
SMILES
C1C=NNC1=O
InChI
InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2H,1H2,(H,5,6)
InChIKey
ZRHUHDUEXWHZMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
21.25
TPSA
41.46

LogP / Solubility

WLOGP
-0.51
MLOGP
-0.46
XLogP3
-0.8
Consensus LogP
-0.59
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.59

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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