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CAS 39205-87-3 1H-Pyrazole-4-carbonitrile,3-nitro-(9CI) molecular structure lightbox
CAS RN: 39205-87-3

1H-Pyrazole-4-carbonitrile,3-nitro-(9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-146873
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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 39205-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

39205-87-3 / 5-nitro-1H-pyrazole-4-carbonitrile

Standard CAS: 39205-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39205-87-3
Multi CAS
No
Molecular Formula
C4H2N4O2
Molecular Weight
138.080000
Exact Mass
138.017775
InChI
InChI=1S/C4H2N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,(H,6,7)
InChIKey
BHWGVDFLAUBWLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
29.96
TPSA
95.61

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
0.1
Consensus LogP
0.15
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

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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