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CAS 28466-04-8 1-pyridin-4-ylpyrazol-4-amine molecular structure lightbox
CAS RN: 28466-04-8

1-pyridin-4-ylpyrazol-4-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 200mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS28466-04-8
  • Purity/Analytical Methods: >99.0%
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28466-04-8 / 1-pyridin-4-ylpyrazol-4-amine

Standard CAS: 28466-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28466-04-8
Multi CAS
No
Molecular Formula
C8H8N4
Molecular Weight
160.180000
Exact Mass
160.074896
SMILES
C1=CN=CC=C1N2C=C(C=N2)N
InChI
InChI=1S/C8H8N4/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h1-6H,9H2
InChIKey
GNJNONLBGNMHGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.77
TPSA
56.73

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.1
Consensus LogP
0.56
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.09

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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