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CAS 108-26-9 3-Methyl-5-pyrazolone molecular structure lightbox
CAS RN: 108-26-9

3-Methyl-5-pyrazolone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 1kg In stock Shandong Inquiry
Batchno.20251127 250g In stock Shanghai, Shandong Inquiry
Batchno.20250806 50g In stock Shanghai Inquiry
  • Product code: SSC-009280
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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: 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 108-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

108-26-9 / 3-methyl-1,4-dihydropyrazol-5-one

3-Methyl-2-pyrazolin-5-one | 3-Methyl-5-pyrazolone | 3-Methyl-1H-pyrazol-5(4H)-one

Standard CAS: 108-26-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108-26-9
Multi CAS
Yes
Molecular Formula
C4H6N2O
Molecular Weight
98.100000
Exact Mass
98.048013
SMILES
CC1=NNC(=O)C1
InChI
InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)
InChIKey
NHLAPJMCARJFOG-UHFFFAOYSA-N
Synonyms
3-Methyl-2-pyrazolin-5-one 3-Methyl-5-pyrazolone 3-Methyl-1H-pyrazol-5(4H)-one 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl- 2,4-Dihydro-5-methyl-3H-pyrazol-3-one

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.87
TPSA
41.46

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.12
XLogP3
-0.5
Consensus LogP
-0.25
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-3.4

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)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (86.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (86.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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