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CAS 303066-82-2 ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate molecular structure lightbox
CAS RN: 303066-82-2

ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate

  • Product code: SSC-134374
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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 303066-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

303066-82-2 / ethyl 5-amino-1-benzyl-3-methylpyrazole-4-carboxylate

Standard CAS: 303066-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
303066-82-2
Multi CAS
No
Molecular Formula
C14H17N3O2
Molecular Weight
259.300000
Exact Mass
259.132077
InChI
InChI=1S/C14H17N3O2/c1-3-19-14(18)12-10(2)16-17(13(12)15)9-11-7-5-4-6-8-11/h4-8H,3,9,15H2,1-2H3
InChIKey
ZIVXPMIRBSHHAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.88
TPSA
70.14

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2.7
Consensus LogP
2.16
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

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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