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CAS 64019-58-5 2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETOHYDRAZIDE molecular structure lightbox
CAS RN: 64019-58-5

2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETOHYDRAZIDE

  • Product code: SSC-173802
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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 64019-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

64019-58-5 / 2-(3,5-dimethylpyrazol-1-yl)acetohydrazide

Standard CAS: 64019-58-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64019-58-5
Multi CAS
Yes
Molecular Formula
C7H12N4O
Molecular Weight
168.200000
Exact Mass
168.101111
InChI
InChI=1S/C7H12N4O/c1-5-3-6(2)11(10-5)4-7(12)9-8/h3H,4,8H2,1-2H3,(H,9,12)
InChIKey
CIUXPFMOQYTDKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.03
TPSA
72.94

LogP / Solubility

WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.3
Consensus LogP
-0.42
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
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)
-4.11

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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