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CAS 1152543-41-3 4-(1H-pyrazol-1-yl)pyridin-3-amine molecular structure lightbox
CAS RN: 1152543-41-3

4-(1H-pyrazol-1-yl)pyridin-3-amine

  • Product code: SSC-014955
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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 1152543-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1152543-41-3 / 4-pyrazol-1-ylpyridin-3-amine

4-(1H-pyrazol-1-yl)pyridin-3-amine | 4-pyrazol-1-ylpyridin-3-amine | SCHEMBL15771021

Standard CAS: 1152543-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152543-41-3
Multi CAS
No
Molecular Formula
C8H8N4
Molecular Weight
160.180000
Exact Mass
160.074896
SMILES
C1=CN(N=C1)C2=C(C=NC=C2)N
InChI
InChI=1S/C8H8N4/c9-7-6-10-4-2-8(7)12-5-1-3-11-12/h1-6H,9H2
InChIKey
OFDKULOZRHMIAO-UHFFFAOYSA-N
Synonyms
4-(1H-pyrazol-1-yl)pyridin-3-amine 4-pyrazol-1-ylpyridin-3-amine SCHEMBL15771021 OFDKULOZRHMIAO-UHFFFAOYSA-N DTXSID701296027

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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