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CAS 1782569-25-8 3-Amino-4-(4-bromophenyl)-1-methylpyrazole molecular structure lightbox
CAS RN: 1782569-25-8

3-Amino-4-(4-bromophenyl)-1-methylpyrazole

  • Product code: SSC-078687
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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: ≥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 1782569-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1782569-25-8 / 4-(4-bromophenyl)-1-methylpyrazol-3-amine

Standard CAS: 1782569-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782569-25-8
Multi CAS
No
Molecular Formula
C10H10BrN3
Molecular Weight
252.110000
Exact Mass
251.005810
SMILES
CN1C=C(C(=N1)N)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H10BrN3/c1-14-6-9(10(12)13-14)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,13)
InChIKey
NQSNTVVALGJAFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.76
TPSA
43.84

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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