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CAS 1264046-99-2 ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate molecular structure lightbox
CAS RN: 1264046-99-2

ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 100mg In stock Shanghai Inquiry
Batchno.20250821 1g In stock Shanghai Inquiry
Batchno.20260501 250mg In stock Shanghai Inquiry
Batchno.20250216 5g Out of stock Inquiry
  • Product code: SSC-033523
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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 1264046-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1264046-99-2 / ethyl 5-amino-1-(4-fluorophenyl)pyrazole-3-carboxylate

Standard CAS: 1264046-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1264046-99-2
Multi CAS
No
Molecular Formula
C12H12FN3O2
Molecular Weight
249.240000
Exact Mass
249.091355
SMILES
CCOC(=O)C1=NN(C(=C1)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-11(14)16(15-10)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3
InChIKey
MILOBAIYUXUZQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.89
TPSA
70.14

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2.2
Consensus LogP
1.84
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

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

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