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CAS 817641-86-4 1-Tert-Butyl-3-Cyclobutyl-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 817641-86-4

1-Tert-Butyl-3-Cyclobutyl-1H-pyrazol-5-amine

  • Product code: SSC-190106
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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 817641-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

817641-86-4 / 1-tert-butyl-3-cyclobutylpyrazol-5-amine

Standard CAS: 817641-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
817641-86-4
Multi CAS
No
Molecular Formula
C11H19N3
Molecular Weight
193.290000
Exact Mass
193.157898
InChI
InChI=1S/C11H19N3/c1-11(2,3)14-10(12)7-9(13-14)8-5-4-6-8/h7-8H,4-6,12H2,1-3H3
InChIKey
VZZTXMPAZZZOFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.23
TPSA
43.84

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
1.9
Consensus LogP
2.19
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.13

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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