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CAS 62821-89-0 3-(3,5-DIMETHYL-PYRAZOL-1-YL)-PROPYLAMINE molecular structure lightbox
CAS RN: 62821-89-0

3-(3,5-DIMETHYL-PYRAZOL-1-YL)-PROPYLAMINE

  • Product code: SSC-172176
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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 62821-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

62821-89-0 / 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

Standard CAS: 62821-89-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62821-89-0
Multi CAS
Yes
Molecular Formula
C8H15N3
Molecular Weight
153.220000
Exact Mass
153.126597
InChI
InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKey
AFJVVHQSOQPLOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.37
TPSA
43.84

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.4
Consensus LogP
0.66
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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
1.5

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