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CAS 3528-50-5 1-cyclohexyl-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 3528-50-5

1-cyclohexyl-1H-pyrazol-5-amine

  • Product code: SSC-142250
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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 3528-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

3528-50-5 / 2-cyclohexylpyrazol-3-amine

Standard CAS: 3528-50-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3528-50-5
Multi CAS
Yes
Molecular Formula
C9H15N3
Molecular Weight
165.240000
Exact Mass
165.126597
InChI
InChI=1S/C9H15N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h6-8H,1-5,10H2
InChIKey
PTQWQGFQOJOBJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.76
TPSA
43.84

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.33

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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