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CAS 537039-17-1 1H-Pyrazol-3-amine,5-(4-methyl-1-piperazinyl)-(9CI) molecular structure lightbox
CAS RN: 537039-17-1

1H-Pyrazol-3-amine,5-(4-methyl-1-piperazinyl)-(9CI)

  • Product code: SSC-161104
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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 537039-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

537039-17-1 / 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine

Standard CAS: 537039-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
537039-17-1
Multi CAS
No
Molecular Formula
C8H15N5
Molecular Weight
181.240000
Exact Mass
181.132746
InChI
InChI=1S/C8H15N5/c1-12-2-4-13(5-3-12)8-6-7(9)10-11-8/h6H,2-5H2,1H3,(H3,9,10,11)
InChIKey
BAUIMKSJWJHSBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.71
TPSA
61.18

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.23
XLogP3
0.1
Consensus LogP
-0.13
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-4.01

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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