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CAS 54705-91-8 2-(1H-PYRAZOL-1-YL)ANILINE molecular structure lightbox
CAS RN: 54705-91-8

2-(1H-PYRAZOL-1-YL)ANILINE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260307 1g In stock Inquiry
Batchno.20250609 5g In stock Inquiry
  • Product code: SSC-162533
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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, 5g
  • Available purity: ≥97%
  • 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 54705-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

54705-91-8 / 2-pyrazol-1-ylaniline

Standard CAS: 54705-91-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54705-91-8
Multi CAS
No
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
InChI
InChI=1S/C9H9N3/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,10H2
InChIKey
UIYKQBXRFZCXFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.98
TPSA
43.84

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.5
Consensus LogP
1.41
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-2.66

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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