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CAS 936940-34-0 1H-Pyrazole-1-ethanamine, -alpha-,3,5-trimethyl- molecular structure lightbox
CAS RN: 936940-34-0

1H-Pyrazole-1-ethanamine, -alpha-,3,5-trimethyl-

  • Product code: SSC-208089
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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 936940-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

936940-34-0 / 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

Standard CAS: 936940-34-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936940-34-0
Multi CAS
Yes
Molecular Formula
C8H15N3
Molecular Weight
153.220000
Exact Mass
153.126597
InChI
InChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3
InChIKey
FODFRQFRJYJPSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.35
TPSA
43.84

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.5
Consensus LogP
0.7
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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