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CAS 214839-73-3 4-(2-aMinoethyl)-1,2-dihydro-5-Methyl-3H-Pyrazol-3-one molecular structure lightbox
CAS RN: 214839-73-3

4-(2-aMinoethyl)-1,2-dihydro-5-Methyl-3H-Pyrazol-3-one

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260424 1g In stock Inquiry
Batchno.20250311 250mg Out of stock Inquiry
Batchno.20260526 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-103005
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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 214839-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

214839-73-3 / 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one

Standard CAS: 214839-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214839-73-3
Multi CAS
No
Molecular Formula
C6H11N3O
Molecular Weight
141.170000
Exact Mass
141.090212
SMILES
CC1=C(C(=O)NN1)CCN
InChI
InChI=1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h2-3,7H2,1H3,(H2,8,9,10)
InChIKey
GTTHJSHNPZUIAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
38.91
TPSA
74.67

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.6
Consensus LogP
-0.51
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.93

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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