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CAS 389630-97-1 (1-ethyl-1H-pyrazol-5-yl)methanamine molecular structure lightbox
CAS RN: 389630-97-1

(1-ethyl-1H-pyrazol-5-yl)methanamine

  • Product code: SSC-146583
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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: 0.25g
  • 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 389630-97-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

389630-97-1 / (2-ethylpyrazol-3-yl)methanamine

Standard CAS: 389630-97-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
389630-97-1
Multi CAS
No
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
InChI
InChI=1S/C6H11N3/c1-2-9-6(5-7)3-4-8-9/h3-4H,2,5,7H2,1H3
InChIKey
VBRQKQJNZFDLDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.79
TPSA
43.84

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-0.6
Consensus LogP
0.02
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-3.23

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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