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CAS 51516-68-8 5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-& molecular structure lightbox
CAS RN: 51516-68-8

5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-&

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 1g In stock Inquiry
Batchno.20251209 250mg In stock Inquiry
Batchno.20250731 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-158394
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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: ＞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 51516-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

51516-68-8 / 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile

Standard CAS: 51516-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51516-68-8
Multi CAS
Yes
Molecular Formula
C10H7CLN4
Molecular Weight
218.640000
Exact Mass
218.035924
InChI
InChI=1S/C10H7ClN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
VRKRSWGTAMOYEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.7
TPSA
67.63

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
2.4
Consensus LogP
2.04
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

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

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