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CAS 352018-93-0 (1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYLAMINE molecular structure lightbox
CAS RN: 352018-93-0

(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYLAMINE

  • Product code: SSC-142068
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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 352018-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

352018-93-0 / (1,3,5-trimethylpyrazol-4-yl)methanamine

Standard CAS: 352018-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352018-93-0
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
InChI
InChI=1S/C7H13N3/c1-5-7(4-8)6(2)10(3)9-5/h4,8H2,1-3H3
InChIKey
DGVBHLRORWEBLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.57
TPSA
43.84

LogP / Solubility

WLOGP
0.5
MLOGP
0.43
XLogP3
-0.1
Consensus LogP
0.28
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.22

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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