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CAS 5394-41-2 5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE molecular structure lightbox
CAS RN: 5394-41-2

5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260312 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250213 5g In stock Shanghai, Shenzhen Inquiry
Batchno.20260515 5g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-161360
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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 5394-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

5394-41-2 / 5-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile

Standard CAS: 5394-41-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5394-41-2
Multi CAS
Yes
Molecular Formula
C10H7N5O2
Molecular Weight
229.190000
Exact Mass
229.059974
InChI
InChI=1S/C10H7N5O2/c11-5-7-6-13-14(10(7)12)8-1-3-9(4-2-8)15(16)17/h1-4,6H,12H2
InChIKey
OAPYCPXMCXWPHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
59.35
TPSA
110.77

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.6
Consensus LogP
1.31
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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