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CAS 72816-14-9 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile molecular structure lightbox
CAS RN: 72816-14-9

5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile

  • Product code: SSC-182315
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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 72816-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

72816-14-9 / 5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile

Standard CAS: 72816-14-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72816-14-9
Multi CAS
Yes
Molecular Formula
C9H7N5
Molecular Weight
185.190000
Exact Mass
185.070145
InChI
InChI=1S/C9H7N5/c10-5-7-6-13-14(9(7)11)8-3-1-2-4-12-8/h1-4,6H,11H2
InChIKey
GFILBPUBXBGRHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.49
TPSA
80.52

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
1.1
Consensus LogP
0.82
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

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