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CAS 19364-68-2 1-ethyl-3-methyl-1H-pyrazol-5(4H)-one molecular structure lightbox
CAS RN: 19364-68-2

1-ethyl-3-methyl-1H-pyrazol-5(4H)-one

  • Product code: SSC-091384
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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 19364-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

19364-68-2 / 2-ethyl-5-methyl-4H-pyrazol-3-one

Standard CAS: 19364-68-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19364-68-2
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
CCN1C(=O)CC(=N1)C
InChI
InChI=1S/C6H10N2O/c1-3-8-6(9)4-5(2)7-8/h3-4H2,1-2H3
InChIKey
BDKWKEPROQIWCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.11
TPSA
32.67

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.1
Consensus LogP
0.41
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.05

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

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 37 companies. For more detailed information, please visit ECHA C&L website.

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