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CAS 1309887-73-7 4-(3-bromophenyl)-3-methyl-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 1309887-73-7

4-(3-bromophenyl)-3-methyl-1H-pyrazol-5-amine

  • Product code: SSC-037551
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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 1309887-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1309887-73-7 / 4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-amine

Standard CAS: 1309887-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309887-73-7
Multi CAS
No
Molecular Formula
C10H10BrN3
Molecular Weight
252.110000
Exact Mass
251.005810
SMILES
CC1=C(C(=NN1)N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H10BrN3/c1-6-9(10(12)14-13-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H3,12,13,14)
InChIKey
ZKGMEKBNNPAEPX-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
2
H-bond donors
2
Molar refractivity
60.87
TPSA
54.7

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.32

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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