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CAS 89187-40-6 1,3-DIMETHYLPYRAZOLE-5-CARBOHYDRAZIDE molecular structure lightbox
CAS RN: 89187-40-6

1,3-DIMETHYLPYRAZOLE-5-CARBOHYDRAZIDE

  • Product code: SSC-201081
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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: 5g
  • 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 89187-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

89187-40-6 / 2,5-dimethylpyrazole-3-carbohydrazide

Standard CAS: 89187-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89187-40-6
Multi CAS
No
Molecular Formula
C6H10N4O
Molecular Weight
154.170000
Exact Mass
154.085461
InChI
InChI=1S/C6H10N4O/c1-4-3-5(6(11)8-7)10(2)9-4/h3H,7H2,1-2H3,(H,8,11)
InChIKey
JNCYYXYBTYXWKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.6
TPSA
72.94

LogP / Solubility

WLOGP
-0.67
MLOGP
-0.59
XLogP3
-0.5
Consensus LogP
-0.59
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
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)
-4.13

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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