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CAS 1493-47-6 3,5-bis(4-fluorophenyl)-1H-pyrazole molecular structure lightbox
CAS RN: 1493-47-6

3,5-bis(4-fluorophenyl)-1H-pyrazole

  • Product code: SSC-059338
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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 1493-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1493-47-6 / 3,5-bis(4-fluorophenyl)-1H-pyrazole

Standard CAS: 1493-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1493-47-6
Multi CAS
No
Molecular Formula
C15H10F2N2
Molecular Weight
256.250000
Exact Mass
256.081205
SMILES
C1=CC(=CC=C1C2=CC(=NN2)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C15H10F2N2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-9H,(H,18,19)
InChIKey
GVQYJNATMYMBAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.38
TPSA
28.68

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
3.7
Consensus LogP
3.76
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

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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