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CAS 121507-34-4 1H-Pyrazol-3-amine,5-(1-methylethoxy)-(9CI) molecular structure lightbox
CAS RN: 121507-34-4

1H-Pyrazol-3-amine,5-(1-methylethoxy)-(9CI)

  • Product code: SSC-023999
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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: 5g
  • Available purity: ＞97%
  • 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 121507-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

121507-34-4 / 3-propan-2-yloxy-1H-pyrazol-5-amine

Standard CAS: 121507-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121507-34-4
Multi CAS
No
Molecular Formula
C6H11N3O
Molecular Weight
141.170000
Exact Mass
141.090212
SMILES
CC(C)OC1=NNC(=C1)N
InChI
InChI=1S/C6H11N3O/c1-4(2)10-6-3-5(7)8-9-6/h3-4H,1-2H3,(H3,7,8,9)
InChIKey
BAYGRDORJOSALU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.76
TPSA
63.93

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
1
Consensus LogP
0.82
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.03

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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